PDB-9haw: F420-dependent glucose-6-phosphate dehydrogenase without ligand

Basic information

• Entry: Database: PDB / ID: 9haw
• Title: F420-dependent glucose-6-phosphate dehydrogenase without ligand
• Components: Luciferase family protein
• Keywords: OXIDOREDUCTASE / glucose dehydrogenase / F420
• Function / homology: F420-dependent glucose-6-phosphate dehydrogenase-related / : / Luciferase-like domain / Luciferase-like monooxygenase / Luciferase-like domain superfamily / oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen / Luciferase family protein
• Biological species: Thermomicrobium roseum DSM 5159 (bacteria)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.22 Å
• Authors: Palm, G.J. / Berndt, L. / Lammers, M.

Funding support

1items

Organization	Grant number	Country
Not funded

• Citation: Journal: To Be Published; Title: Discovery of a coenzyme F420-dependent glucose-6-phosphate dehydrogenase from Thermomicrobium roseum; Authors: Last, M. / Hasan, M. / Hemmann, J.L. / Kroeber, T.D.U. / Palm, G.J. / Lammers, M. / Lackner, G.

History

Deposition	Nov 5, 2024	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Nov 19, 2025	Provider: repository / Type: Initial release

Assembly

Deposited unit

A: Luciferase family protein

B: Luciferase family protein

C: Luciferase family protein

D: Luciferase family protein

E: Luciferase family protein

F: Luciferase family protein

G: Luciferase family protein

H: Luciferase family protein

I: Luciferase family protein

J: Luciferase family protein

K: Luciferase family protein

L: Luciferase family protein

M: Luciferase family protein

N: Luciferase family protein

Q: Luciferase family protein

R: Luciferase family protein

O: Luciferase family protein

P: Luciferase family protein

hetero molecules

Summary:

• 762 kDa, 18 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	762,058	34
Polymers	761,491	18
Non-polymers	567	16
Water	42,732	2372

1

A: Luciferase family protein

B: Luciferase family protein

C: Luciferase family protein

D: Luciferase family protein

E: Luciferase family protein

F: Luciferase family protein

hetero molecules

Summary:

• defined by author
• Evidence: gel filtration, point group 32 (Hermann-Maugin)
• 254 kDa, 6 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	253,972	10
Polymers	253,830	6
Non-polymers	142	4
Water	108	6

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

2

G: Luciferase family protein

H: Luciferase family protein

I: Luciferase family protein

J: Luciferase family protein

K: Luciferase family protein

L: Luciferase family protein

hetero molecules

Summary:

• defined by author
• Evidence: gel filtration, point group 32 (Hermann-Maugin)
• 254 kDa, 6 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	254,043	12
Polymers	253,830	6
Non-polymers	213	6
Water	108	6

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

3

M: Luciferase family protein

N: Luciferase family protein

Q: Luciferase family protein

R: Luciferase family protein

O: Luciferase family protein

P: Luciferase family protein

hetero molecules

Summary:

• defined by author
• Evidence: gel filtration, point group 32 (Hermann-Maugin)
• 254 kDa, 6 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	254,043	12
Polymers	253,830	6
Non-polymers	213	6
Water	108	6

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Unit cell

Length a, b, c (Å)	200.482, 376.876, 104.772
Angle α, β, γ (deg.)	90, 90, 90
Int Tables number	18
Space group name H-M	P21212

Components on special symmetry positions

ID	Model	Components
1	1	K-644- HOH

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
2	1	A
3	2	A
4	2	A
5	3	A
6	3	A
7	4	A
8	4	A
9	5	A
10	5	A
11	6	A
12	6	A
13	7	A
14	7	A
15	8	A
16	8	A
17	9	A
18	9	A
19	10	A
20	10	A
21	11	A
22	11	A
23	12	A
24	12	A
25	13	A
26	13	A
27	14	A
28	14	A
29	15	A
30	15	A
31	16	A
32	16	A
33	17	A
34	17	A
35	18	A
36	18	A
37	19	A
38	19	A
39	20	A
40	20	A
41	21	A
42	21	A
43	22	A
44	22	A
45	23	A
46	23	A
47	24	A
48	24	A
49	25	A
50	25	A
51	26	A
52	26	A
53	27	A
54	27	A
55	28	A
56	28	A
57	29	A
58	29	A
59	30	A
60	30	A
61	31	A
62	31	A
63	32	A
64	32	A
65	33	A
66	33	A
67	34	A
68	34	A
69	35	A
70	35	A
71	36	A
72	36	A
73	37	A
74	37	A
75	38	A
76	38	A
77	39	A
78	39	A
79	40	A
80	40	A
81	41	A
82	41	A
83	42	A
84	42	A
85	43	A
86	43	A
87	44	A
88	44	A
89	45	A
90	45	A
91	46	A
92	46	A
93	47	A
94	47	A
95	48	A
96	48	A
97	49	A
98	49	A
99	50	A
100	50	A
101	51	A
102	51	A
103	52	A
104	52	A
105	53	A
106	53	A
107	54	A
108	54	A
109	55	A
110	55	A
111	56	A
112	56	A
113	57	A
114	57	A
115	58	A
116	58	A
117	59	A
118	59	A
119	60	A
120	60	A
121	61	A
122	61	A
123	62	A
124	62	A
125	63	A
126	63	A
127	64	A
128	64	A
129	65	A
130	65	A
131	66	A
132	66	A
133	67	A
134	67	A
135	68	A
136	68	A
137	69	A
138	69	A
139	70	A
140	70	A
141	71	A
142	71	A
143	72	A
144	72	A
145	73	A
146	73	A
147	74	A
148	74	A
149	75	A
150	75	A
151	76	A
152	76	A
153	77	A
154	77	A
155	78	A
156	78	A
157	79	A
158	79	A
159	80	A
160	80	A
161	81	A
162	81	A
163	82	A
164	82	A
165	83	A
166	83	A
167	84	A
168	84	A
169	85	A
170	85	A
171	86	A
172	86	A
173	87	A
174	87	A
175	88	A
176	88	A
177	89	A
178	89	A
179	90	A
180	90	A
181	91	A
182	91	A
183	92	A
184	92	A
185	93	A
186	93	A
187	94	A
188	94	A
189	95	A
190	95	A
191	96	A
192	96	A
193	97	A
194	97	A
195	98	A
196	98	A
197	99	A
198	99	A
199	100	A
200	100	A
201	101	A
202	101	A
203	102	A
204	102	A
205	103	A
206	103	A
207	104	A
208	104	A
209	105	A
210	105	A
211	106	A
212	106	A
213	107	A
214	107	A
215	108	A
216	108	A
217	109	A
218	109	A
219	110	A
220	110	A
221	111	A
222	111	A
223	112	A
224	112	A
225	113	A
226	113	A
227	114	A
228	114	A
229	115	A
230	115	A
231	116	A
232	116	A
233	117	A
234	117	A
235	118	A
236	118	A
237	119	A
238	119	A
239	120	A
240	120	A
241	121	A
242	121	A
243	122	A
244	122	A
245	123	A
246	123	A
247	124	A
248	124	A
249	125	A
250	125	A
251	126	A
252	126	A
253	127	A
254	127	A
255	128	A
256	128	A
257	129	A
258	129	A
259	130	A
260	130	A
261	131	A
262	131	A
263	132	A
264	132	A
265	133	A
266	133	A
267	134	A
268	134	A
269	135	A
270	135	A
271	136	A
272	136	A
273	137	A
274	137	A
275	138	A
276	138	A
277	139	A
278	139	A
279	140	A
280	140	A
281	141	A
282	141	A
283	142	A
284	142	A
285	143	A
286	143	A
287	144	A
288	144	A
289	145	A
290	145	A
291	146	A
292	146	A
293	147	A
294	147	A
295	148	A
296	148	A
297	149	A
298	149	A
299	150	A
300	150	A
301	151	A
302	151	A
303	152	A
304	152	A
305	153	A
306	153	A

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	1	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
2	1	1	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
3	2	2	GLY	GLY	GLN	GLN	A	A	0 - 336	33 - 369
4	2	2	GLY	GLY	GLN	GLN	A	A	0 - 336	33 - 369
5	3	3	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
6	3	3	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
7	4	4	GLY	GLY	GLN	GLN	A	A	0 - 336	33 - 369
8	4	4	GLY	GLY	GLN	GLN	A	A	0 - 336	33 - 369
9	5	5	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
10	5	5	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
11	6	6	GLY	GLY	ALA	ALA	A	A	0 - 337	33 - 370
12	6	6	GLY	GLY	ALA	ALA	A	A	0 - 337	33 - 370
13	7	7	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
14	7	7	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
15	8	8	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
16	8	8	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
17	9	9	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
18	9	9	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
19	10	10	GLY	GLY	ALA	ALA	A	A	0 - 337	33 - 370
20	10	10	GLY	GLY	ALA	ALA	A	A	0 - 337	33 - 370
21	11	11	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
22	11	11	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
23	12	12	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
24	12	12	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
25	13	13	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
26	13	13	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
27	14	14	GLY	GLY	MET	MET	A	A	0 - 338	33 - 371
28	14	14	GLY	GLY	MET	MET	A	A	0 - 338	33 - 371
29	15	15	GLY	GLY	GLN	GLN	A	A	0 - 336	33 - 369
30	15	15	GLY	GLY	GLN	GLN	A	A	0 - 336	33 - 369
31	16	16	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
32	16	16	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
33	17	17	GLY	GLY	ALA	ALA	A	A	0 - 337	33 - 370
34	17	17	GLY	GLY	ALA	ALA	A	A	0 - 337	33 - 370
35	18	18	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
36	18	18	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
37	19	19	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
38	19	19	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
39	20	20	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
40	20	20	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
41	21	21	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
42	21	21	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
43	22	22	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
44	22	22	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
45	23	23	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
46	23	23	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
47	24	24	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
48	24	24	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
49	25	25	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
50	25	25	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
51	26	26	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
52	26	26	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
53	27	27	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
54	27	27	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
55	28	28	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
56	28	28	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
57	29	29	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
58	29	29	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
59	30	30	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
60	30	30	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
61	31	31	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
62	31	31	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
63	32	32	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
64	32	32	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
65	33	33	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
66	33	33	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
67	34	34	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
68	34	34	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
69	35	35	GLY	GLY	GLN	GLN	A	A	0 - 336	33 - 369
70	35	35	GLY	GLY	GLN	GLN	A	A	0 - 336	33 - 369
71	36	36	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
72	36	36	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
73	37	37	GLY	GLY	GLN	GLN	A	A	0 - 336	33 - 369
74	37	37	GLY	GLY	GLN	GLN	A	A	0 - 336	33 - 369
75	38	38	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
76	38	38	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
77	39	39	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
78	39	39	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
79	40	40	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
80	40	40	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
81	41	41	GLY	GLY	GLN	GLN	A	A	0 - 336	33 - 369
82	41	41	GLY	GLY	GLN	GLN	A	A	0 - 336	33 - 369
83	42	42	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
84	42	42	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
85	43	43	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
86	43	43	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
87	44	44	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
88	44	44	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
89	45	45	GLY	GLY	GLN	GLN	A	A	0 - 336	33 - 369
90	45	45	GLY	GLY	GLN	GLN	A	A	0 - 336	33 - 369
91	46	46	GLY	GLY	ALA	ALA	A	A	0 - 337	33 - 370
92	46	46	GLY	GLY	ALA	ALA	A	A	0 - 337	33 - 370
93	47	47	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
94	47	47	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
95	48	48	GLY	GLY	GLN	GLN	A	A	0 - 336	33 - 369
96	48	48	GLY	GLY	GLN	GLN	A	A	0 - 336	33 - 369
97	49	49	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
98	49	49	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
99	50	50	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
100	50	50	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
101	51	51	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
102	51	51	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
103	52	52	SER	SER	MET	MET	A	A	1 - 338	34 - 371
104	52	52	SER	SER	MET	MET	A	A	1 - 338	34 - 371
105	53	53	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
106	53	53	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
107	54	54	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
108	54	54	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
109	55	55	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
110	55	55	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
111	56	56	SER	SER	MET	MET	A	A	1 - 338	34 - 371
112	56	56	SER	SER	MET	MET	A	A	1 - 338	34 - 371
113	57	57	SER	SER	MET	MET	A	A	1 - 338	34 - 371
114	57	57	SER	SER	MET	MET	A	A	1 - 338	34 - 371
115	58	58	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
116	58	58	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
117	59	59	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
118	59	59	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
119	60	60	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
120	60	60	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
121	61	61	SER	SER	MET	MET	A	A	1 - 338	34 - 371
122	61	61	SER	SER	MET	MET	A	A	1 - 338	34 - 371
123	62	62	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
124	62	62	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
125	63	63	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
126	63	63	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
127	64	64	ARG	ARG	GLN	GLN	E - A	E - A	-1 - 336	32 - 369
128	64	64	ARG	ARG	GLN	GLN	E - A	E - A	-1 - 336	32 - 369
129	65	65	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
130	65	65	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
131	66	66	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
132	66	66	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
133	67	67	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
134	67	67	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
135	68	68	ARG	ARG	GLN	GLN	E - A	E - A	-1 - 336	32 - 369
136	68	68	ARG	ARG	GLN	GLN	E - A	E - A	-1 - 336	32 - 369
137	69	69	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
138	69	69	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
139	70	70	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
140	70	70	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
141	71	71	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
142	71	71	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
143	72	72	GLY	GLY	GLN	GLN	A	A	0 - 336	33 - 369
144	72	72	GLY	GLY	GLN	GLN	A	A	0 - 336	33 - 369
145	73	73	GLY	GLY	GLN	GLN	A	A	0 - 336	33 - 369
146	73	73	GLY	GLY	GLN	GLN	A	A	0 - 336	33 - 369
147	74	74	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
148	74	74	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
149	75	75	ARG	ARG	GLN	GLN	E - A	E - A	-1 - 336	32 - 369
150	75	75	ARG	ARG	GLN	GLN	E - A	E - A	-1 - 336	32 - 369
151	76	76	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
152	76	76	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
153	77	77	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
154	77	77	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
155	78	78	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
156	78	78	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
157	79	79	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
158	79	79	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
159	80	80	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
160	80	80	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
161	81	81	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
162	81	81	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
163	82	82	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
164	82	82	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
165	83	83	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
166	83	83	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
167	84	84	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
168	84	84	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
169	85	85	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
170	85	85	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
171	86	86	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
172	86	86	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
173	87	87	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
174	87	87	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
175	88	88	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
176	88	88	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
177	89	89	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
178	89	89	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
179	90	90	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
180	90	90	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
181	91	91	ARG	ARG	MET	MET	E - A	E - A	-1 - 338	32 - 371
182	91	91	ARG	ARG	MET	MET	E - A	E - A	-1 - 338	32 - 371
183	92	92	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
184	92	92	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
185	93	93	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
186	93	93	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
187	94	94	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
188	94	94	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
189	95	95	GLY	GLY	ALA	ALA	A	A	0 - 337	33 - 370
190	95	95	GLY	GLY	ALA	ALA	A	A	0 - 337	33 - 370
191	96	96	GLY	GLY	GLN	GLN	A	A	0 - 336	33 - 369
192	96	96	GLY	GLY	GLN	GLN	A	A	0 - 336	33 - 369
193	97	97	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
194	97	97	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
195	98	98	ARG	ARG	MET	MET	E - A	E - A	-1 - 338	32 - 371
196	98	98	ARG	ARG	MET	MET	E - A	E - A	-1 - 338	32 - 371
197	99	99	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
198	99	99	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
199	100	100	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
200	100	100	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
201	101	101	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
202	101	101	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
203	102	102	SER	SER	MET	MET	A	A	1 - 338	34 - 371
204	102	102	SER	SER	MET	MET	A	A	1 - 338	34 - 371
205	103	103	SER	SER	MET	MET	A	A	1 - 338	34 - 371
206	103	103	SER	SER	MET	MET	A	A	1 - 338	34 - 371
207	104	104	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
208	104	104	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
209	105	105	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
210	105	105	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
211	106	106	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
212	106	106	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
213	107	107	SER	SER	MET	MET	A	A	1 - 338	34 - 371
214	107	107	SER	SER	MET	MET	A	A	1 - 338	34 - 371
215	108	108	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
216	108	108	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
217	109	109	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
218	109	109	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
219	110	110	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
220	110	110	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
221	111	111	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
222	111	111	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
223	112	112	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
224	112	112	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
225	113	113	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
226	113	113	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
227	114	114	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
228	114	114	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
229	115	115	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
230	115	115	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
231	116	116	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
232	116	116	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
233	117	117	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
234	117	117	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
235	118	118	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
236	118	118	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
237	119	119	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
238	119	119	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
239	120	120	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
240	120	120	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
241	121	121	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
242	121	121	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
243	122	122	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
244	122	122	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
245	123	123	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
246	123	123	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
247	124	124	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
248	124	124	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
249	125	125	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
250	125	125	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
251	126	126	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
252	126	126	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
253	127	127	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
254	127	127	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
255	128	128	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
256	128	128	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
257	129	129	GLY	GLY	ALA	ALA	A	A	0 - 337	33 - 370
258	129	129	GLY	GLY	ALA	ALA	A	A	0 - 337	33 - 370
259	130	130	GLY	GLY	GLN	GLN	A	A	0 - 336	33 - 369
260	130	130	GLY	GLY	GLN	GLN	A	A	0 - 336	33 - 369
261	131	131	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
262	131	131	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
263	132	132	ARG	ARG	MET	MET	E - A	E - A	-1 - 338	32 - 371
264	132	132	ARG	ARG	MET	MET	E - A	E - A	-1 - 338	32 - 371
265	133	133	SER	SER	MET	MET	A	A	1 - 338	34 - 371
266	133	133	SER	SER	MET	MET	A	A	1 - 338	34 - 371
267	134	134	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
268	134	134	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
269	135	135	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
270	135	135	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
271	136	136	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
272	136	136	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
273	137	137	SER	SER	MET	MET	A	A	1 - 338	34 - 371
274	137	137	SER	SER	MET	MET	A	A	1 - 338	34 - 371
275	138	138	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
276	138	138	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
277	139	139	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
278	139	139	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
279	140	140	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
280	140	140	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
281	141	141	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
282	141	141	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
283	142	142	SER	SER	MET	MET	A	A	1 - 338	34 - 371
284	142	142	SER	SER	MET	MET	A	A	1 - 338	34 - 371
285	143	143	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
286	143	143	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
287	144	144	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
288	144	144	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
289	145	145	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
290	145	145	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
291	146	146	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
292	146	146	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
293	147	147	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
294	147	147	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
295	148	148	GLY	GLY	GLN	GLN	A	A	0 - 336	33 - 369
296	148	148	GLY	GLY	GLN	GLN	A	A	0 - 336	33 - 369
297	149	149	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
298	149	149	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
299	150	150	GLY	GLY	ALA	ALA	A	A	0 - 337	33 - 370
300	150	150	GLY	GLY	ALA	ALA	A	A	0 - 337	33 - 370
301	151	151	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
302	151	151	SER	SER	GLN	GLN	A	A	1 - 336	34 - 369
303	152	152	GLY	GLY	GLN	GLN	A	A	0 - 336	33 - 369
304	152	152	GLY	GLY	GLN	GLN	A	A	0 - 336	33 - 369
305	153	153	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370
306	153	153	SER	SER	ALA	ALA	A	A	1 - 337	34 - 370

NCS ensembles :

ID	Details
1	Local NCS retraints between domains: 1 2
2	Local NCS retraints between domains: 3 4
3	Local NCS retraints between domains: 5 6
4	Local NCS retraints between domains: 7 8
5	Local NCS retraints between domains: 9 10
6	Local NCS retraints between domains: 11 12
7	Local NCS retraints between domains: 13 14
8	Local NCS retraints between domains: 15 16
9	Local NCS retraints between domains: 17 18
10	Local NCS retraints between domains: 19 20
11	Local NCS retraints between domains: 21 22
12	Local NCS retraints between domains: 23 24
13	Local NCS retraints between domains: 25 26
14	Local NCS retraints between domains: 27 28
15	Local NCS retraints between domains: 29 30
16	Local NCS retraints between domains: 31 32
17	Local NCS retraints between domains: 33 34
18	Local NCS retraints between domains: 35 36
19	Local NCS retraints between domains: 37 38
20	Local NCS retraints between domains: 39 40
21	Local NCS retraints between domains: 41 42
22	Local NCS retraints between domains: 43 44
23	Local NCS retraints between domains: 45 46
24	Local NCS retraints between domains: 47 48
25	Local NCS retraints between domains: 49 50
26	Local NCS retraints between domains: 51 52
27	Local NCS retraints between domains: 53 54
28	Local NCS retraints between domains: 55 56
29	Local NCS retraints between domains: 57 58
30	Local NCS retraints between domains: 59 60
31	Local NCS retraints between domains: 61 62
32	Local NCS retraints between domains: 63 64
33	Local NCS retraints between domains: 65 66
34	Local NCS retraints between domains: 67 68
35	Local NCS retraints between domains: 69 70
36	Local NCS retraints between domains: 71 72
37	Local NCS retraints between domains: 73 74
38	Local NCS retraints between domains: 75 76
39	Local NCS retraints between domains: 77 78
40	Local NCS retraints between domains: 79 80
41	Local NCS retraints between domains: 81 82
42	Local NCS retraints between domains: 83 84
43	Local NCS retraints between domains: 85 86
44	Local NCS retraints between domains: 87 88
45	Local NCS retraints between domains: 89 90
46	Local NCS retraints between domains: 91 92
47	Local NCS retraints between domains: 93 94
48	Local NCS retraints between domains: 95 96
49	Local NCS retraints between domains: 97 98
50	Local NCS retraints between domains: 99 100
51	Local NCS retraints between domains: 101 102
52	Local NCS retraints between domains: 103 104
53	Local NCS retraints between domains: 105 106
54	Local NCS retraints between domains: 107 108
55	Local NCS retraints between domains: 109 110
56	Local NCS retraints between domains: 111 112
57	Local NCS retraints between domains: 113 114
58	Local NCS retraints between domains: 115 116
59	Local NCS retraints between domains: 117 118
60	Local NCS retraints between domains: 119 120
61	Local NCS retraints between domains: 121 122
62	Local NCS retraints between domains: 123 124
63	Local NCS retraints between domains: 125 126
64	Local NCS retraints between domains: 127 128
65	Local NCS retraints between domains: 129 130
66	Local NCS retraints between domains: 131 132
67	Local NCS retraints between domains: 133 134
68	Local NCS retraints between domains: 135 136
69	Local NCS retraints between domains: 137 138
70	Local NCS retraints between domains: 139 140
71	Local NCS retraints between domains: 141 142
72	Local NCS retraints between domains: 143 144
73	Local NCS retraints between domains: 145 146
74	Local NCS retraints between domains: 147 148
75	Local NCS retraints between domains: 149 150
76	Local NCS retraints between domains: 151 152
77	Local NCS retraints between domains: 153 154
78	Local NCS retraints between domains: 155 156
79	Local NCS retraints between domains: 157 158
80	Local NCS retraints between domains: 159 160
81	Local NCS retraints between domains: 161 162
82	Local NCS retraints between domains: 163 164
83	Local NCS retraints between domains: 165 166
84	Local NCS retraints between domains: 167 168
85	Local NCS retraints between domains: 169 170
86	Local NCS retraints between domains: 171 172
87	Local NCS retraints between domains: 173 174
88	Local NCS retraints between domains: 175 176
89	Local NCS retraints between domains: 177 178
90	Local NCS retraints between domains: 179 180
91	Local NCS retraints between domains: 181 182
92	Local NCS retraints between domains: 183 184
93	Local NCS retraints between domains: 185 186
94	Local NCS retraints between domains: 187 188
95	Local NCS retraints between domains: 189 190
96	Local NCS retraints between domains: 191 192
97	Local NCS retraints between domains: 193 194
98	Local NCS retraints between domains: 195 196
99	Local NCS retraints between domains: 197 198
100	Local NCS retraints between domains: 199 200
101	Local NCS retraints between domains: 201 202
102	Local NCS retraints between domains: 203 204
103	Local NCS retraints between domains: 205 206
104	Local NCS retraints between domains: 207 208
105	Local NCS retraints between domains: 209 210
106	Local NCS retraints between domains: 211 212
107	Local NCS retraints between domains: 213 214
108	Local NCS retraints between domains: 215 216
109	Local NCS retraints between domains: 217 218
110	Local NCS retraints between domains: 219 220
111	Local NCS retraints between domains: 221 222
112	Local NCS retraints between domains: 223 224
113	Local NCS retraints between domains: 225 226
114	Local NCS retraints between domains: 227 228
115	Local NCS retraints between domains: 229 230
116	Local NCS retraints between domains: 231 232
117	Local NCS retraints between domains: 233 234
118	Local NCS retraints between domains: 235 236
119	Local NCS retraints between domains: 237 238
120	Local NCS retraints between domains: 239 240
121	Local NCS retraints between domains: 241 242
122	Local NCS retraints between domains: 243 244
123	Local NCS retraints between domains: 245 246
124	Local NCS retraints between domains: 247 248
125	Local NCS retraints between domains: 249 250
126	Local NCS retraints between domains: 251 252
127	Local NCS retraints between domains: 253 254
128	Local NCS retraints between domains: 255 256
129	Local NCS retraints between domains: 257 258
130	Local NCS retraints between domains: 259 260
131	Local NCS retraints between domains: 261 262
132	Local NCS retraints between domains: 263 264
133	Local NCS retraints between domains: 265 266
134	Local NCS retraints between domains: 267 268
135	Local NCS retraints between domains: 269 270
136	Local NCS retraints between domains: 271 272
137	Local NCS retraints between domains: 273 274
138	Local NCS retraints between domains: 275 276
139	Local NCS retraints between domains: 277 278
140	Local NCS retraints between domains: 279 280
141	Local NCS retraints between domains: 281 282
142	Local NCS retraints between domains: 283 284
143	Local NCS retraints between domains: 285 286
144	Local NCS retraints between domains: 287 288
145	Local NCS retraints between domains: 289 290
146	Local NCS retraints between domains: 291 292
147	Local NCS retraints between domains: 293 294
148	Local NCS retraints between domains: 295 296
149	Local NCS retraints between domains: 297 298
150	Local NCS retraints between domains: 299 300
151	Local NCS retraints between domains: 301 302
152	Local NCS retraints between domains: 303 304
153	Local NCS retraints between domains: 305 306

Components

#1: Protein

A B C D E F G H I J K L M N Q R O P
Luciferase family protein / F420-dependent glucose-6-phosphate dehydrogenase

Details:

Mass: 42305.039 Da / Num. of mol.: 18
Source method: isolated from a genetically manipulated source
Details: Tag: MGSSHHHHHHSSGLVPRGSHMASMTGGQQMGRGS
Source: (gene. exp.) Thermomicrobium roseum DSM 5159 (bacteria)
Gene: trd_A0676 / Plasmid: pTK005 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: B9L4G2

#2: Chemical

A-401 C-401 D-401 E-401 G-401 H-401 I-401 J-401 K-401 L-401 M-401 N-401 Q-401 R-401 O-401 P-401
ChemComp-CL / CHLORIDE ION

Details:

Mass: 35.453 Da / Num. of mol.: 16 / Source method: obtained synthetically / Formula: Cl

#3: Water

ChemComp-HOH / water

Details:

Mass: 18.015 Da / Num. of mol.: 2372 / Source method: isolated from a natural source / Formula: H₂O

• Has ligand of interest: N
• Has protein modification: N

Experimental details

Experiment

• Experiment: Method: X-RAY DIFFRACTION / Number of used crystals: 1

Sample preparation

• Crystal: Density Matthews: 2.6 ų/Da / Density % sol: 53 %
• Crystal grow: Temperature: 293 K / Method: vapor diffusion, sitting drop / Details: 0.2 M NH4F, 20% PEG3350

Data collection

• Diffraction: Mean temperature: 100 K / Serial crystal experiment: N
• Diffraction source: Source: SYNCHROTRON / Site: PETRA III, EMBL c/o DESY / Beamline: P13 (MX1) / Wavelength: 0.9762 Å
• Detector: Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Aug 11, 2020
• Radiation: Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 0.9762 Å / Relative weight: 1
• Reflection: Resolution: 2.22→180 Å / Num. obs: 351453 / % possible obs: 90.3 % / Observed criterion σ(I): -3 / Redundancy: 4.2 % / B_iso Wilson estimate: 42.9 Ų / R_sym value: 0.09 / Net I/σ(I): 10.2
• Reflection shell: Resolution: 2.22→2.32 Å / Redundancy: 4.9 % / Mean I/σ(I) obs: 1.5 / Num. unique obs: 17574 / R_sym value: 0.903 / % possible all: 38.6

Processing

Software

Name	Version	Classification
REFMAC	5.8.0425	refinement
XDS	Jan 31, 2020	data reduction
XDS	Jan 31, 2020	data scaling
PHASER	2.8.3	phasing

Refinement

Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.22→177.626 Å / Cor.coef. F_o:F_c: 0.96 / Cor.coef. F_o:F_c free: 0.952 / SU B: 11.581 / SU ML: 0.135 / Cross valid method: FREE R-VALUE / ESU R: 0.253 / ESU R Free: 0.176
Details: Hydrogens have been added in their riding positions

	Rfactor	Num. reflection	% reflection
Rfree	0.1933	17844	5.077 %
Rwork	0.1732	333609	-
all	0.174	-	-
obs	-	351453	90.21 %

• Solvent computation: Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK BULK SOLVENT

Displacement parameters

B_iso mean: 44.298 Ų

	Baniso -1	Baniso -2	Baniso -3
1-	-0.088 Å2	-0 Å2	0 Å2
2-	-	-0.05 Å2	0 Å2
3-	-	-	0.138 Å2

Refinement step

Cycle: LAST / Resolution: 2.22→177.626 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	48250	0	16	2372	50638

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.007	0.012	49882
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.016	46445
X-RAY DIFFRACTION	r_angle_refined_deg	1.505	1.829	67799
X-RAY DIFFRACTION	r_angle_other_deg	0.518	1.754	106607
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.401	5	6120
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	10.734	5	473
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	14.597	10	7809
X-RAY DIFFRACTION	r_dihedral_angle_6_deg	14.712	10	2443
X-RAY DIFFRACTION	r_chiral_restr	0.067	0.2	7002
X-RAY DIFFRACTION	r_gen_planes_refined	0.005	0.02	61073
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	12443
X-RAY DIFFRACTION	r_nbd_refined	0.207	0.2	9024
X-RAY DIFFRACTION	r_symmetry_nbd_other	0.186	0.2	40366
X-RAY DIFFRACTION	r_nbtor_refined	0.179	0.2	23632
X-RAY DIFFRACTION	r_symmetry_nbtor_other	0.078	0.2	25121
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.133	0.2	1927
X-RAY DIFFRACTION	r_symmetry_xyhbond_nbd_other	0.072	0.2	5
X-RAY DIFFRACTION	r_symmetry_nbd_refined	0.263	0.2	61
X-RAY DIFFRACTION	r_nbd_other	0.263	0.2	239
X-RAY DIFFRACTION	r_symmetry_xyhbond_nbd_refined	0.168	0.2	44
X-RAY DIFFRACTION	r_mcbond_it	2.319	3.154	24456
X-RAY DIFFRACTION	r_mcbond_other	2.319	3.154	24456
X-RAY DIFFRACTION	r_mcangle_it	3.403	5.665	30578
X-RAY DIFFRACTION	r_mcangle_other	3.403	5.665	30579
X-RAY DIFFRACTION	r_scbond_it	3.558	3.554	25426
X-RAY DIFFRACTION	r_scbond_other	3.557	3.554	25426
X-RAY DIFFRACTION	r_scangle_it	5.511	6.327	37219
X-RAY DIFFRACTION	r_scangle_other	5.511	6.327	37220
X-RAY DIFFRACTION	r_lrange_it	6.896	31.919	53872
X-RAY DIFFRACTION	r_lrange_other	6.893	31.746	53529
X-RAY DIFFRACTION	r_ncsr_local_group_1	0.05	0.05	11310
X-RAY DIFFRACTION	r_ncsr_local_group_2	0.055	0.05	11266
X-RAY DIFFRACTION	r_ncsr_local_group_3	0.051	0.05	11329
X-RAY DIFFRACTION	r_ncsr_local_group_4	0.059	0.05	11227
X-RAY DIFFRACTION	r_ncsr_local_group_5	0.054	0.05	11269
X-RAY DIFFRACTION	r_ncsr_local_group_6	0.049	0.05	11344
X-RAY DIFFRACTION	r_ncsr_local_group_7	0.04	0.05	11423
X-RAY DIFFRACTION	r_ncsr_local_group_8	0.052	0.05	11288
X-RAY DIFFRACTION	r_ncsr_local_group_9	0.059	0.05	11267
X-RAY DIFFRACTION	r_ncsr_local_group_10	0.05	0.05	11335
X-RAY DIFFRACTION	r_ncsr_local_group_11	0.048	0.05	11315
X-RAY DIFFRACTION	r_ncsr_local_group_12	0.04	0.05	11399
X-RAY DIFFRACTION	r_ncsr_local_group_13	0.049	0.05	11313
X-RAY DIFFRACTION	r_ncsr_local_group_14	0.04	0.05	11402
X-RAY DIFFRACTION	r_ncsr_local_group_15	0.047	0.05	11344
X-RAY DIFFRACTION	r_ncsr_local_group_16	0.053	0.05	11302
X-RAY DIFFRACTION	r_ncsr_local_group_17	0.051	0.05	11335
X-RAY DIFFRACTION	r_ncsr_local_group_18	0.049	0.05	11327
X-RAY DIFFRACTION	r_ncsr_local_group_19	0.043	0.05	11310
X-RAY DIFFRACTION	r_ncsr_local_group_20	0.049	0.05	11268
X-RAY DIFFRACTION	r_ncsr_local_group_21	0.042	0.05	11354
X-RAY DIFFRACTION	r_ncsr_local_group_22	0.043	0.05	11338
X-RAY DIFFRACTION	r_ncsr_local_group_23	0.049	0.05	11294
X-RAY DIFFRACTION	r_ncsr_local_group_24	0.041	0.05	11395
X-RAY DIFFRACTION	r_ncsr_local_group_25	0.05	0.05	11288
X-RAY DIFFRACTION	r_ncsr_local_group_26	0.048	0.05	11298
X-RAY DIFFRACTION	r_ncsr_local_group_27	0.047	0.05	11358
X-RAY DIFFRACTION	r_ncsr_local_group_28	0.053	0.05	11310
X-RAY DIFFRACTION	r_ncsr_local_group_29	0.041	0.05	11373
X-RAY DIFFRACTION	r_ncsr_local_group_30	0.037	0.05	11371
X-RAY DIFFRACTION	r_ncsr_local_group_31	0.037	0.05	11381
X-RAY DIFFRACTION	r_ncsr_local_group_32	0.048	0.05	11320
X-RAY DIFFRACTION	r_ncsr_local_group_33	0.044	0.05	11305
X-RAY DIFFRACTION	r_ncsr_local_group_34	0.05	0.05	11248
X-RAY DIFFRACTION	r_ncsr_local_group_35	0.052	0.05	11258
X-RAY DIFFRACTION	r_ncsr_local_group_36	0.05	0.05	11321
X-RAY DIFFRACTION	r_ncsr_local_group_37	0.049	0.05	11318
X-RAY DIFFRACTION	r_ncsr_local_group_38	0.049	0.05	11288
X-RAY DIFFRACTION	r_ncsr_local_group_39	0.053	0.05	11300
X-RAY DIFFRACTION	r_ncsr_local_group_40	0.053	0.05	11266
X-RAY DIFFRACTION	r_ncsr_local_group_41	0.051	0.05	11253
X-RAY DIFFRACTION	r_ncsr_local_group_42	0.042	0.05	11351
X-RAY DIFFRACTION	r_ncsr_local_group_43	0.053	0.05	11256
X-RAY DIFFRACTION	r_ncsr_local_group_44	0.047	0.05	11321
X-RAY DIFFRACTION	r_ncsr_local_group_45	0.05	0.05	11302
X-RAY DIFFRACTION	r_ncsr_local_group_46	0.043	0.05	11336
X-RAY DIFFRACTION	r_ncsr_local_group_47	0.04	0.05	11296
X-RAY DIFFRACTION	r_ncsr_local_group_48	0.052	0.05	11283
X-RAY DIFFRACTION	r_ncsr_local_group_49	0.05	0.05	11231
X-RAY DIFFRACTION	r_ncsr_local_group_50	0.043	0.05	11310
X-RAY DIFFRACTION	r_ncsr_local_group_51	0.045	0.05	11355
X-RAY DIFFRACTION	r_ncsr_local_group_52	0.048	0.05	11365
X-RAY DIFFRACTION	r_ncsr_local_group_53	0.052	0.05	11301
X-RAY DIFFRACTION	r_ncsr_local_group_54	0.046	0.05	11303
X-RAY DIFFRACTION	r_ncsr_local_group_55	0.04	0.05	11407
X-RAY DIFFRACTION	r_ncsr_local_group_56	0.047	0.05	11357
X-RAY DIFFRACTION	r_ncsr_local_group_57	0.054	0.05	11361
X-RAY DIFFRACTION	r_ncsr_local_group_58	0.046	0.05	11338
X-RAY DIFFRACTION	r_ncsr_local_group_59	0.044	0.05	11370
X-RAY DIFFRACTION	r_ncsr_local_group_60	0.036	0.05	11378
X-RAY DIFFRACTION	r_ncsr_local_group_61	0.047	0.05	11352
X-RAY DIFFRACTION	r_ncsr_local_group_62	0.044	0.05	11387
X-RAY DIFFRACTION	r_ncsr_local_group_63	0.044	0.05	11314
X-RAY DIFFRACTION	r_ncsr_local_group_64	0.049	0.05	11352
X-RAY DIFFRACTION	r_ncsr_local_group_65	0.051	0.05	11270
X-RAY DIFFRACTION	r_ncsr_local_group_66	0.053	0.05	11274
X-RAY DIFFRACTION	r_ncsr_local_group_67	0.04	0.05	11386
X-RAY DIFFRACTION	r_ncsr_local_group_68	0.049	0.05	11282
X-RAY DIFFRACTION	r_ncsr_local_group_69	0.045	0.05	11349
X-RAY DIFFRACTION	r_ncsr_local_group_70	0.057	0.05	11234
X-RAY DIFFRACTION	r_ncsr_local_group_71	0.047	0.05	11304
X-RAY DIFFRACTION	r_ncsr_local_group_72	0.049	0.05	11282
X-RAY DIFFRACTION	r_ncsr_local_group_73	0.042	0.05	11288
X-RAY DIFFRACTION	r_ncsr_local_group_74	0.05	0.05	11270
X-RAY DIFFRACTION	r_ncsr_local_group_75	0.049	0.05	11325
X-RAY DIFFRACTION	r_ncsr_local_group_76	0.048	0.05	11367
X-RAY DIFFRACTION	r_ncsr_local_group_77	0.049	0.05	11329
X-RAY DIFFRACTION	r_ncsr_local_group_78	0.046	0.05	11406
X-RAY DIFFRACTION	r_ncsr_local_group_79	0.048	0.05	11340
X-RAY DIFFRACTION	r_ncsr_local_group_80	0.051	0.05	11291
X-RAY DIFFRACTION	r_ncsr_local_group_81	0.043	0.05	11394
X-RAY DIFFRACTION	r_ncsr_local_group_82	0.056	0.05	11303
X-RAY DIFFRACTION	r_ncsr_local_group_83	0.049	0.05	11347
X-RAY DIFFRACTION	r_ncsr_local_group_84	0.047	0.05	11342
X-RAY DIFFRACTION	r_ncsr_local_group_85	0.044	0.05	11341
X-RAY DIFFRACTION	r_ncsr_local_group_86	0.048	0.05	11334
X-RAY DIFFRACTION	r_ncsr_local_group_87	0.047	0.05	11350
X-RAY DIFFRACTION	r_ncsr_local_group_88	0.041	0.05	11427
X-RAY DIFFRACTION	r_ncsr_local_group_89	0.049	0.05	11369
X-RAY DIFFRACTION	r_ncsr_local_group_90	0.048	0.05	11404
X-RAY DIFFRACTION	r_ncsr_local_group_91	0.044	0.05	11438
X-RAY DIFFRACTION	r_ncsr_local_group_92	0.043	0.05	11444
X-RAY DIFFRACTION	r_ncsr_local_group_93	0.051	0.05	11393
X-RAY DIFFRACTION	r_ncsr_local_group_94	0.046	0.05	11405
X-RAY DIFFRACTION	r_ncsr_local_group_95	0.036	0.05	11457
X-RAY DIFFRACTION	r_ncsr_local_group_96	0.039	0.05	11439
X-RAY DIFFRACTION	r_ncsr_local_group_97	0.048	0.05	11432
X-RAY DIFFRACTION	r_ncsr_local_group_98	0.043	0.05	11502
X-RAY DIFFRACTION	r_ncsr_local_group_99	0.05	0.05	11373
X-RAY DIFFRACTION	r_ncsr_local_group_100	0.051	0.05	11395
X-RAY DIFFRACTION	r_ncsr_local_group_101	0.046	0.05	11403
X-RAY DIFFRACTION	r_ncsr_local_group_102	0.045	0.05	11436
X-RAY DIFFRACTION	r_ncsr_local_group_103	0.045	0.05	11475
X-RAY DIFFRACTION	r_ncsr_local_group_104	0.047	0.05	11397
X-RAY DIFFRACTION	r_ncsr_local_group_105	0.042	0.05	11432
X-RAY DIFFRACTION	r_ncsr_local_group_106	0.04	0.05	11423
X-RAY DIFFRACTION	r_ncsr_local_group_107	0.048	0.05	11432
X-RAY DIFFRACTION	r_ncsr_local_group_108	0.046	0.05	11436
X-RAY DIFFRACTION	r_ncsr_local_group_109	0.057	0.05	11295
X-RAY DIFFRACTION	r_ncsr_local_group_110	0.052	0.05	11312
X-RAY DIFFRACTION	r_ncsr_local_group_111	0.051	0.05	11371
X-RAY DIFFRACTION	r_ncsr_local_group_112	0.056	0.05	11323
X-RAY DIFFRACTION	r_ncsr_local_group_113	0.053	0.05	11384
X-RAY DIFFRACTION	r_ncsr_local_group_114	0.043	0.05	11384
X-RAY DIFFRACTION	r_ncsr_local_group_115	0.047	0.05	11389
X-RAY DIFFRACTION	r_ncsr_local_group_116	0.05	0.05	11327
X-RAY DIFFRACTION	r_ncsr_local_group_117	0.053	0.05	11309
X-RAY DIFFRACTION	r_ncsr_local_group_118	0.05	0.05	11369
X-RAY DIFFRACTION	r_ncsr_local_group_119	0.047	0.05	11424
X-RAY DIFFRACTION	r_ncsr_local_group_120	0.055	0.05	11354
X-RAY DIFFRACTION	r_ncsr_local_group_121	0.05	0.05	11362
X-RAY DIFFRACTION	r_ncsr_local_group_122	0.048	0.05	11380
X-RAY DIFFRACTION	r_ncsr_local_group_123	0.042	0.05	11403
X-RAY DIFFRACTION	r_ncsr_local_group_124	0.046	0.05	11395
X-RAY DIFFRACTION	r_ncsr_local_group_125	0.046	0.05	11422
X-RAY DIFFRACTION	r_ncsr_local_group_126	0.043	0.05	11340
X-RAY DIFFRACTION	r_ncsr_local_group_127	0.046	0.05	11366
X-RAY DIFFRACTION	r_ncsr_local_group_128	0.047	0.05	11346
X-RAY DIFFRACTION	r_ncsr_local_group_129	0.039	0.05	11393
X-RAY DIFFRACTION	r_ncsr_local_group_130	0.041	0.05	11378
X-RAY DIFFRACTION	r_ncsr_local_group_131	0.045	0.05	11339
X-RAY DIFFRACTION	r_ncsr_local_group_132	0.044	0.05	11471
X-RAY DIFFRACTION	r_ncsr_local_group_133	0.049	0.05	11344
X-RAY DIFFRACTION	r_ncsr_local_group_134	0.046	0.05	11428
X-RAY DIFFRACTION	r_ncsr_local_group_135	0.044	0.05	11388
X-RAY DIFFRACTION	r_ncsr_local_group_136	0.039	0.05	11366
X-RAY DIFFRACTION	r_ncsr_local_group_137	0.043	0.05	11410
X-RAY DIFFRACTION	r_ncsr_local_group_138	0.042	0.05	11400
X-RAY DIFFRACTION	r_ncsr_local_group_139	0.052	0.05	11419
X-RAY DIFFRACTION	r_ncsr_local_group_140	0.042	0.05	11484
X-RAY DIFFRACTION	r_ncsr_local_group_141	0.046	0.05	11448
X-RAY DIFFRACTION	r_ncsr_local_group_142	0.05	0.05	11447
X-RAY DIFFRACTION	r_ncsr_local_group_143	0.046	0.05	11457
X-RAY DIFFRACTION	r_ncsr_local_group_144	0.043	0.05	11452
X-RAY DIFFRACTION	r_ncsr_local_group_145	0.04	0.05	11431
X-RAY DIFFRACTION	r_ncsr_local_group_146	0.048	0.05	11395
X-RAY DIFFRACTION	r_ncsr_local_group_147	0.046	0.05	11404
X-RAY DIFFRACTION	r_ncsr_local_group_148	0.035	0.05	11427
X-RAY DIFFRACTION	r_ncsr_local_group_149	0.045	0.05	11372
X-RAY DIFFRACTION	r_ncsr_local_group_150	0.04	0.05	11375
X-RAY DIFFRACTION	r_ncsr_local_group_151	0.042	0.05	11391
X-RAY DIFFRACTION	r_ncsr_local_group_152	0.041	0.05	11389
X-RAY DIFFRACTION	r_ncsr_local_group_153	0.044	0.05	11452

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Refine-ID	Type	Rms dev position (Å)	Weight position
1	1	A	X-RAY DIFFRACTION	Local ncs	0.0501	0.05011
1	2	A	X-RAY DIFFRACTION	Local ncs	0.0501	0.05011
2	3	A	X-RAY DIFFRACTION	Local ncs	0.0547	0.0501
2	4	A	X-RAY DIFFRACTION	Local ncs	0.0547	0.0501
3	5	A	X-RAY DIFFRACTION	Local ncs	0.0514	0.05011
3	6	A	X-RAY DIFFRACTION	Local ncs	0.0514	0.05011
4	7	A	X-RAY DIFFRACTION	Local ncs	0.05921	0.0501
4	8	A	X-RAY DIFFRACTION	Local ncs	0.05921	0.0501
5	9	A	X-RAY DIFFRACTION	Local ncs	0.05393	0.05011
5	10	A	X-RAY DIFFRACTION	Local ncs	0.05393	0.05011
6	11	A	X-RAY DIFFRACTION	Local ncs	0.04895	0.05011
6	12	A	X-RAY DIFFRACTION	Local ncs	0.04895	0.05011
7	13	A	X-RAY DIFFRACTION	Local ncs	0.03981	0.05011
7	14	A	X-RAY DIFFRACTION	Local ncs	0.03981	0.05011
8	15	A	X-RAY DIFFRACTION	Local ncs	0.05193	0.05011
8	16	A	X-RAY DIFFRACTION	Local ncs	0.05193	0.05011
9	17	A	X-RAY DIFFRACTION	Local ncs	0.05916	0.0501
9	18	A	X-RAY DIFFRACTION	Local ncs	0.05916	0.0501
10	19	A	X-RAY DIFFRACTION	Local ncs	0.05002	0.05011
10	20	A	X-RAY DIFFRACTION	Local ncs	0.05002	0.05011
11	21	A	X-RAY DIFFRACTION	Local ncs	0.04824	0.05011
11	22	A	X-RAY DIFFRACTION	Local ncs	0.04824	0.05011
12	23	A	X-RAY DIFFRACTION	Local ncs	0.04007	0.05011
12	24	A	X-RAY DIFFRACTION	Local ncs	0.04007	0.05011
13	25	A	X-RAY DIFFRACTION	Local ncs	0.04873	0.05011
13	26	A	X-RAY DIFFRACTION	Local ncs	0.04873	0.05011
14	27	A	X-RAY DIFFRACTION	Local ncs	0.0396	0.05011
14	28	A	X-RAY DIFFRACTION	Local ncs	0.0396	0.05011
15	29	A	X-RAY DIFFRACTION	Local ncs	0.04746	0.05011
15	30	A	X-RAY DIFFRACTION	Local ncs	0.04746	0.05011
16	31	A	X-RAY DIFFRACTION	Local ncs	0.05301	0.05011
16	32	A	X-RAY DIFFRACTION	Local ncs	0.05301	0.05011
17	33	A	X-RAY DIFFRACTION	Local ncs	0.05063	0.05011
17	34	A	X-RAY DIFFRACTION	Local ncs	0.05063	0.05011
18	35	A	X-RAY DIFFRACTION	Local ncs	0.04884	0.05011
18	36	A	X-RAY DIFFRACTION	Local ncs	0.04884	0.05011
19	37	A	X-RAY DIFFRACTION	Local ncs	0.04343	0.05011
19	38	A	X-RAY DIFFRACTION	Local ncs	0.04343	0.05011
20	39	A	X-RAY DIFFRACTION	Local ncs	0.04938	0.0501
20	40	A	X-RAY DIFFRACTION	Local ncs	0.04938	0.0501
21	41	A	X-RAY DIFFRACTION	Local ncs	0.04198	0.05011
21	42	A	X-RAY DIFFRACTION	Local ncs	0.04198	0.05011
22	43	A	X-RAY DIFFRACTION	Local ncs	0.04296	0.05011
22	44	A	X-RAY DIFFRACTION	Local ncs	0.04296	0.05011
23	45	A	X-RAY DIFFRACTION	Local ncs	0.04865	0.05011
23	46	A	X-RAY DIFFRACTION	Local ncs	0.04865	0.05011
24	47	A	X-RAY DIFFRACTION	Local ncs	0.0413	0.05011
24	48	A	X-RAY DIFFRACTION	Local ncs	0.0413	0.05011
25	49	A	X-RAY DIFFRACTION	Local ncs	0.04989	0.0501
25	50	A	X-RAY DIFFRACTION	Local ncs	0.04989	0.0501
26	51	A	X-RAY DIFFRACTION	Local ncs	0.04815	0.05011
26	52	A	X-RAY DIFFRACTION	Local ncs	0.04815	0.05011
27	53	A	X-RAY DIFFRACTION	Local ncs	0.04725	0.05011
27	54	A	X-RAY DIFFRACTION	Local ncs	0.04725	0.05011
28	55	A	X-RAY DIFFRACTION	Local ncs	0.05319	0.05011
28	56	A	X-RAY DIFFRACTION	Local ncs	0.05319	0.05011
29	57	A	X-RAY DIFFRACTION	Local ncs	0.04074	0.05011
29	58	A	X-RAY DIFFRACTION	Local ncs	0.04074	0.05011
30	59	A	X-RAY DIFFRACTION	Local ncs	0.03738	0.05011
30	60	A	X-RAY DIFFRACTION	Local ncs	0.03738	0.05011
31	61	A	X-RAY DIFFRACTION	Local ncs	0.03652	0.05011
31	62	A	X-RAY DIFFRACTION	Local ncs	0.03652	0.05011
32	63	A	X-RAY DIFFRACTION	Local ncs	0.04837	0.05011
32	64	A	X-RAY DIFFRACTION	Local ncs	0.04837	0.05011
33	65	A	X-RAY DIFFRACTION	Local ncs	0.04391	0.05011
33	66	A	X-RAY DIFFRACTION	Local ncs	0.04391	0.05011
34	67	A	X-RAY DIFFRACTION	Local ncs	0.05018	0.0501
34	68	A	X-RAY DIFFRACTION	Local ncs	0.05018	0.0501
35	69	A	X-RAY DIFFRACTION	Local ncs	0.05209	0.0501
35	70	A	X-RAY DIFFRACTION	Local ncs	0.05209	0.0501
36	71	A	X-RAY DIFFRACTION	Local ncs	0.04955	0.05011
36	72	A	X-RAY DIFFRACTION	Local ncs	0.04955	0.05011
37	73	A	X-RAY DIFFRACTION	Local ncs	0.04877	0.05011
37	74	A	X-RAY DIFFRACTION	Local ncs	0.04877	0.05011
38	75	A	X-RAY DIFFRACTION	Local ncs	0.04932	0.05011
38	76	A	X-RAY DIFFRACTION	Local ncs	0.04932	0.05011
39	77	A	X-RAY DIFFRACTION	Local ncs	0.05341	0.05011
39	78	A	X-RAY DIFFRACTION	Local ncs	0.05341	0.05011
40	79	A	X-RAY DIFFRACTION	Local ncs	0.05348	0.0501
40	80	A	X-RAY DIFFRACTION	Local ncs	0.05348	0.0501
41	81	A	X-RAY DIFFRACTION	Local ncs	0.0506	0.0501
41	82	A	X-RAY DIFFRACTION	Local ncs	0.0506	0.0501
42	83	A	X-RAY DIFFRACTION	Local ncs	0.0422	0.05011
42	84	A	X-RAY DIFFRACTION	Local ncs	0.0422	0.05011
43	85	A	X-RAY DIFFRACTION	Local ncs	0.05316	0.05011
43	86	A	X-RAY DIFFRACTION	Local ncs	0.05316	0.05011
44	87	A	X-RAY DIFFRACTION	Local ncs	0.04689	0.05011
44	88	A	X-RAY DIFFRACTION	Local ncs	0.04689	0.05011
45	89	A	X-RAY DIFFRACTION	Local ncs	0.05006	0.05011
45	90	A	X-RAY DIFFRACTION	Local ncs	0.05006	0.05011
46	91	A	X-RAY DIFFRACTION	Local ncs	0.04342	0.05011
46	92	A	X-RAY DIFFRACTION	Local ncs	0.04342	0.05011
47	93	A	X-RAY DIFFRACTION	Local ncs	0.0405	0.0501
47	94	A	X-RAY DIFFRACTION	Local ncs	0.0405	0.0501
48	95	A	X-RAY DIFFRACTION	Local ncs	0.05205	0.05011
48	96	A	X-RAY DIFFRACTION	Local ncs	0.05205	0.05011
49	97	A	X-RAY DIFFRACTION	Local ncs	0.04955	0.0501
49	98	A	X-RAY DIFFRACTION	Local ncs	0.04955	0.0501
50	99	A	X-RAY DIFFRACTION	Local ncs	0.04299	0.05011
50	100	A	X-RAY DIFFRACTION	Local ncs	0.04299	0.05011
51	101	A	X-RAY DIFFRACTION	Local ncs	0.04487	0.05011
51	102	A	X-RAY DIFFRACTION	Local ncs	0.04487	0.05011
52	103	A	X-RAY DIFFRACTION	Local ncs	0.0482	0.05011
52	104	A	X-RAY DIFFRACTION	Local ncs	0.0482	0.05011
53	105	A	X-RAY DIFFRACTION	Local ncs	0.05159	0.05011
53	106	A	X-RAY DIFFRACTION	Local ncs	0.05159	0.05011
54	107	A	X-RAY DIFFRACTION	Local ncs	0.04594	0.0501
54	108	A	X-RAY DIFFRACTION	Local ncs	0.04594	0.0501
55	109	A	X-RAY DIFFRACTION	Local ncs	0.04014	0.05011
55	110	A	X-RAY DIFFRACTION	Local ncs	0.04014	0.05011
56	111	A	X-RAY DIFFRACTION	Local ncs	0.04671	0.05011
56	112	A	X-RAY DIFFRACTION	Local ncs	0.04671	0.05011
57	113	A	X-RAY DIFFRACTION	Local ncs	0.05371	0.05011
57	114	A	X-RAY DIFFRACTION	Local ncs	0.05371	0.05011
58	115	A	X-RAY DIFFRACTION	Local ncs	0.04638	0.05011
58	116	A	X-RAY DIFFRACTION	Local ncs	0.04638	0.05011
59	117	A	X-RAY DIFFRACTION	Local ncs	0.04391	0.05011
59	118	A	X-RAY DIFFRACTION	Local ncs	0.04391	0.05011
60	119	A	X-RAY DIFFRACTION	Local ncs	0.03552	0.05011
60	120	A	X-RAY DIFFRACTION	Local ncs	0.03552	0.05011
61	121	A	X-RAY DIFFRACTION	Local ncs	0.04651	0.05011
61	122	A	X-RAY DIFFRACTION	Local ncs	0.04651	0.05011
62	123	A	X-RAY DIFFRACTION	Local ncs	0.04374	0.05011
62	124	A	X-RAY DIFFRACTION	Local ncs	0.04374	0.05011
63	125	A	X-RAY DIFFRACTION	Local ncs	0.04361	0.05011
63	126	A	X-RAY DIFFRACTION	Local ncs	0.04361	0.05011
64	127	A	X-RAY DIFFRACTION	Local ncs	0.04889	0.0501
64	128	A	X-RAY DIFFRACTION	Local ncs	0.04889	0.0501
65	129	A	X-RAY DIFFRACTION	Local ncs	0.05052	0.0501
65	130	A	X-RAY DIFFRACTION	Local ncs	0.05052	0.0501
66	131	A	X-RAY DIFFRACTION	Local ncs	0.05337	0.0501
66	132	A	X-RAY DIFFRACTION	Local ncs	0.05337	0.0501
67	133	A	X-RAY DIFFRACTION	Local ncs	0.03982	0.05011
67	134	A	X-RAY DIFFRACTION	Local ncs	0.03982	0.05011
68	135	A	X-RAY DIFFRACTION	Local ncs	0.0492	0.0501
68	136	A	X-RAY DIFFRACTION	Local ncs	0.0492	0.0501
69	137	A	X-RAY DIFFRACTION	Local ncs	0.04533	0.05011
69	138	A	X-RAY DIFFRACTION	Local ncs	0.04533	0.05011
70	139	A	X-RAY DIFFRACTION	Local ncs	0.05687	0.0501
70	140	A	X-RAY DIFFRACTION	Local ncs	0.05687	0.0501
71	141	A	X-RAY DIFFRACTION	Local ncs	0.04699	0.05011
71	142	A	X-RAY DIFFRACTION	Local ncs	0.04699	0.05011
72	143	A	X-RAY DIFFRACTION	Local ncs	0.04859	0.0501
72	144	A	X-RAY DIFFRACTION	Local ncs	0.04859	0.0501
73	145	A	X-RAY DIFFRACTION	Local ncs	0.04183	0.0501
73	146	A	X-RAY DIFFRACTION	Local ncs	0.04183	0.0501
74	147	A	X-RAY DIFFRACTION	Local ncs	0.04959	0.0501
74	148	A	X-RAY DIFFRACTION	Local ncs	0.04959	0.0501
75	149	A	X-RAY DIFFRACTION	Local ncs	0.04858	0.0501
75	150	A	X-RAY DIFFRACTION	Local ncs	0.04858	0.0501
76	151	A	X-RAY DIFFRACTION	Local ncs	0.0476	0.05011
76	152	A	X-RAY DIFFRACTION	Local ncs	0.0476	0.05011
77	153	A	X-RAY DIFFRACTION	Local ncs	0.04853	0.05011
77	154	A	X-RAY DIFFRACTION	Local ncs	0.04853	0.05011
78	155	A	X-RAY DIFFRACTION	Local ncs	0.0458	0.05011
78	156	A	X-RAY DIFFRACTION	Local ncs	0.0458	0.05011
79	157	A	X-RAY DIFFRACTION	Local ncs	0.04836	0.05011
79	158	A	X-RAY DIFFRACTION	Local ncs	0.04836	0.05011
80	159	A	X-RAY DIFFRACTION	Local ncs	0.05095	0.05011
80	160	A	X-RAY DIFFRACTION	Local ncs	0.05095	0.05011
81	161	A	X-RAY DIFFRACTION	Local ncs	0.04302	0.05011
81	162	A	X-RAY DIFFRACTION	Local ncs	0.04302	0.05011
82	163	A	X-RAY DIFFRACTION	Local ncs	0.05589	0.05011
82	164	A	X-RAY DIFFRACTION	Local ncs	0.05589	0.05011
83	165	A	X-RAY DIFFRACTION	Local ncs	0.04921	0.05011
83	166	A	X-RAY DIFFRACTION	Local ncs	0.04921	0.05011
84	167	A	X-RAY DIFFRACTION	Local ncs	0.04679	0.05011
84	168	A	X-RAY DIFFRACTION	Local ncs	0.04679	0.05011
85	169	A	X-RAY DIFFRACTION	Local ncs	0.04402	0.05011
85	170	A	X-RAY DIFFRACTION	Local ncs	0.04402	0.05011
86	171	A	X-RAY DIFFRACTION	Local ncs	0.04841	0.05011
86	172	A	X-RAY DIFFRACTION	Local ncs	0.04841	0.05011
87	173	A	X-RAY DIFFRACTION	Local ncs	0.04707	0.05011
87	174	A	X-RAY DIFFRACTION	Local ncs	0.04707	0.05011
88	175	A	X-RAY DIFFRACTION	Local ncs	0.04066	0.05011
88	176	A	X-RAY DIFFRACTION	Local ncs	0.04066	0.05011
89	177	A	X-RAY DIFFRACTION	Local ncs	0.04941	0.05011
89	178	A	X-RAY DIFFRACTION	Local ncs	0.04941	0.05011
90	179	A	X-RAY DIFFRACTION	Local ncs	0.0485	0.05011
90	180	A	X-RAY DIFFRACTION	Local ncs	0.0485	0.05011
91	181	A	X-RAY DIFFRACTION	Local ncs	0.04442	0.05011
91	182	A	X-RAY DIFFRACTION	Local ncs	0.04442	0.05011
92	183	A	X-RAY DIFFRACTION	Local ncs	0.04312	0.05011
92	184	A	X-RAY DIFFRACTION	Local ncs	0.04312	0.05011
93	185	A	X-RAY DIFFRACTION	Local ncs	0.05073	0.05011
93	186	A	X-RAY DIFFRACTION	Local ncs	0.05073	0.05011
94	187	A	X-RAY DIFFRACTION	Local ncs	0.04606	0.05011
94	188	A	X-RAY DIFFRACTION	Local ncs	0.04606	0.05011
95	189	A	X-RAY DIFFRACTION	Local ncs	0.0361	0.05011
95	190	A	X-RAY DIFFRACTION	Local ncs	0.0361	0.05011
96	191	A	X-RAY DIFFRACTION	Local ncs	0.03869	0.05011
96	192	A	X-RAY DIFFRACTION	Local ncs	0.03869	0.05011
97	193	A	X-RAY DIFFRACTION	Local ncs	0.04813	0.05011
97	194	A	X-RAY DIFFRACTION	Local ncs	0.04813	0.05011
98	195	A	X-RAY DIFFRACTION	Local ncs	0.04265	0.05011
98	196	A	X-RAY DIFFRACTION	Local ncs	0.04265	0.05011
99	197	A	X-RAY DIFFRACTION	Local ncs	0.05046	0.05011
99	198	A	X-RAY DIFFRACTION	Local ncs	0.05046	0.05011
100	199	A	X-RAY DIFFRACTION	Local ncs	0.05088	0.05011
100	200	A	X-RAY DIFFRACTION	Local ncs	0.05088	0.05011
101	201	A	X-RAY DIFFRACTION	Local ncs	0.04614	0.05011
101	202	A	X-RAY DIFFRACTION	Local ncs	0.04614	0.05011
102	203	A	X-RAY DIFFRACTION	Local ncs	0.045	0.05011
102	204	A	X-RAY DIFFRACTION	Local ncs	0.045	0.05011
103	205	A	X-RAY DIFFRACTION	Local ncs	0.04472	0.05011
103	206	A	X-RAY DIFFRACTION	Local ncs	0.04472	0.05011
104	207	A	X-RAY DIFFRACTION	Local ncs	0.04658	0.05011
104	208	A	X-RAY DIFFRACTION	Local ncs	0.04658	0.05011
105	209	A	X-RAY DIFFRACTION	Local ncs	0.04197	0.05011
105	210	A	X-RAY DIFFRACTION	Local ncs	0.04197	0.05011
106	211	A	X-RAY DIFFRACTION	Local ncs	0.04043	0.05011
106	212	A	X-RAY DIFFRACTION	Local ncs	0.04043	0.05011
107	213	A	X-RAY DIFFRACTION	Local ncs	0.04841	0.05011
107	214	A	X-RAY DIFFRACTION	Local ncs	0.04841	0.05011
108	215	A	X-RAY DIFFRACTION	Local ncs	0.04583	0.05011
108	216	A	X-RAY DIFFRACTION	Local ncs	0.04583	0.05011
109	217	A	X-RAY DIFFRACTION	Local ncs	0.05677	0.05011
109	218	A	X-RAY DIFFRACTION	Local ncs	0.05677	0.05011
110	219	A	X-RAY DIFFRACTION	Local ncs	0.05224	0.05011
110	220	A	X-RAY DIFFRACTION	Local ncs	0.05224	0.05011
111	221	A	X-RAY DIFFRACTION	Local ncs	0.05103	0.05011
111	222	A	X-RAY DIFFRACTION	Local ncs	0.05103	0.05011
112	223	A	X-RAY DIFFRACTION	Local ncs	0.05563	0.05011
112	224	A	X-RAY DIFFRACTION	Local ncs	0.05563	0.05011
113	225	A	X-RAY DIFFRACTION	Local ncs	0.05306	0.05011
113	226	A	X-RAY DIFFRACTION	Local ncs	0.05306	0.05011
114	227	A	X-RAY DIFFRACTION	Local ncs	0.04277	0.05011
114	228	A	X-RAY DIFFRACTION	Local ncs	0.04277	0.05011
115	229	A	X-RAY DIFFRACTION	Local ncs	0.04717	0.05011
115	230	A	X-RAY DIFFRACTION	Local ncs	0.04717	0.05011
116	231	A	X-RAY DIFFRACTION	Local ncs	0.04972	0.05011
116	232	A	X-RAY DIFFRACTION	Local ncs	0.04972	0.05011
117	233	A	X-RAY DIFFRACTION	Local ncs	0.05325	0.05011
117	234	A	X-RAY DIFFRACTION	Local ncs	0.05325	0.05011
118	235	A	X-RAY DIFFRACTION	Local ncs	0.05017	0.0501
118	236	A	X-RAY DIFFRACTION	Local ncs	0.05017	0.0501
119	237	A	X-RAY DIFFRACTION	Local ncs	0.04681	0.05011
119	238	A	X-RAY DIFFRACTION	Local ncs	0.04681	0.05011
120	239	A	X-RAY DIFFRACTION	Local ncs	0.0554	0.0501
120	240	A	X-RAY DIFFRACTION	Local ncs	0.0554	0.0501
121	241	A	X-RAY DIFFRACTION	Local ncs	0.0501	0.05011
121	242	A	X-RAY DIFFRACTION	Local ncs	0.0501	0.05011
122	243	A	X-RAY DIFFRACTION	Local ncs	0.04777	0.05011
122	244	A	X-RAY DIFFRACTION	Local ncs	0.04777	0.05011
123	245	A	X-RAY DIFFRACTION	Local ncs	0.04233	0.05011
123	246	A	X-RAY DIFFRACTION	Local ncs	0.04233	0.05011
124	247	A	X-RAY DIFFRACTION	Local ncs	0.04568	0.05011
124	248	A	X-RAY DIFFRACTION	Local ncs	0.04568	0.05011
125	249	A	X-RAY DIFFRACTION	Local ncs	0.04641	0.05011
125	250	A	X-RAY DIFFRACTION	Local ncs	0.04641	0.05011
126	251	A	X-RAY DIFFRACTION	Local ncs	0.0426	0.05011
126	252	A	X-RAY DIFFRACTION	Local ncs	0.0426	0.05011
127	253	A	X-RAY DIFFRACTION	Local ncs	0.04562	0.05011
127	254	A	X-RAY DIFFRACTION	Local ncs	0.04562	0.05011
128	255	A	X-RAY DIFFRACTION	Local ncs	0.04704	0.05011
128	256	A	X-RAY DIFFRACTION	Local ncs	0.04704	0.05011
129	257	A	X-RAY DIFFRACTION	Local ncs	0.0388	0.05011
129	258	A	X-RAY DIFFRACTION	Local ncs	0.0388	0.05011
130	259	A	X-RAY DIFFRACTION	Local ncs	0.04111	0.05011
130	260	A	X-RAY DIFFRACTION	Local ncs	0.04111	0.05011
131	261	A	X-RAY DIFFRACTION	Local ncs	0.04471	0.05011
131	262	A	X-RAY DIFFRACTION	Local ncs	0.04471	0.05011
132	263	A	X-RAY DIFFRACTION	Local ncs	0.04385	0.05011
132	264	A	X-RAY DIFFRACTION	Local ncs	0.04385	0.05011
133	265	A	X-RAY DIFFRACTION	Local ncs	0.04855	0.05011
133	266	A	X-RAY DIFFRACTION	Local ncs	0.04855	0.05011
134	267	A	X-RAY DIFFRACTION	Local ncs	0.04573	0.05011
134	268	A	X-RAY DIFFRACTION	Local ncs	0.04573	0.05011
135	269	A	X-RAY DIFFRACTION	Local ncs	0.0438	0.05011
135	270	A	X-RAY DIFFRACTION	Local ncs	0.0438	0.05011
136	271	A	X-RAY DIFFRACTION	Local ncs	0.0392	0.05011
136	272	A	X-RAY DIFFRACTION	Local ncs	0.0392	0.05011
137	273	A	X-RAY DIFFRACTION	Local ncs	0.04258	0.05011
137	274	A	X-RAY DIFFRACTION	Local ncs	0.04258	0.05011
138	275	A	X-RAY DIFFRACTION	Local ncs	0.04205	0.05011
138	276	A	X-RAY DIFFRACTION	Local ncs	0.04205	0.05011
139	277	A	X-RAY DIFFRACTION	Local ncs	0.05182	0.05011
139	278	A	X-RAY DIFFRACTION	Local ncs	0.05182	0.05011
140	279	A	X-RAY DIFFRACTION	Local ncs	0.04165	0.05011
140	280	A	X-RAY DIFFRACTION	Local ncs	0.04165	0.05011
141	281	A	X-RAY DIFFRACTION	Local ncs	0.04553	0.05011
141	282	A	X-RAY DIFFRACTION	Local ncs	0.04553	0.05011
142	283	A	X-RAY DIFFRACTION	Local ncs	0.04992	0.05011
142	284	A	X-RAY DIFFRACTION	Local ncs	0.04992	0.05011
143	285	A	X-RAY DIFFRACTION	Local ncs	0.04619	0.05011
143	286	A	X-RAY DIFFRACTION	Local ncs	0.04619	0.05011
144	287	A	X-RAY DIFFRACTION	Local ncs	0.04343	0.05011
144	288	A	X-RAY DIFFRACTION	Local ncs	0.04343	0.05011
145	289	A	X-RAY DIFFRACTION	Local ncs	0.04029	0.05011
145	290	A	X-RAY DIFFRACTION	Local ncs	0.04029	0.05011
146	291	A	X-RAY DIFFRACTION	Local ncs	0.04836	0.05011
146	292	A	X-RAY DIFFRACTION	Local ncs	0.04836	0.05011
147	293	A	X-RAY DIFFRACTION	Local ncs	0.04574	0.05011
147	294	A	X-RAY DIFFRACTION	Local ncs	0.04574	0.05011
148	295	A	X-RAY DIFFRACTION	Local ncs	0.03489	0.05011
148	296	A	X-RAY DIFFRACTION	Local ncs	0.03489	0.05011
149	297	A	X-RAY DIFFRACTION	Local ncs	0.04527	0.05011
149	298	A	X-RAY DIFFRACTION	Local ncs	0.04527	0.05011
150	299	A	X-RAY DIFFRACTION	Local ncs	0.04023	0.05011
150	300	A	X-RAY DIFFRACTION	Local ncs	0.04023	0.05011
151	301	A	X-RAY DIFFRACTION	Local ncs	0.04176	0.05011
151	302	A	X-RAY DIFFRACTION	Local ncs	0.04176	0.05011
152	303	A	X-RAY DIFFRACTION	Local ncs	0.0414	0.05011
152	304	A	X-RAY DIFFRACTION	Local ncs	0.0414	0.05011
153	305	A	X-RAY DIFFRACTION	Local ncs	0.04426	0.05011
153	306	A	X-RAY DIFFRACTION	Local ncs	0.04426	0.05011

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20

Resolution (Å)	Rfactor Rfree	Num. reflection Rfree	Rfactor Rwork	Num. reflection Rwork	Rfactor all	Num. reflection all	Fsc free	Fsc work	% reflection obs (%)	WRfactor Rwork
2.22-2.278	0.278	395	0.276	7532	0.276	28611	0.947	0.947	27.7061	0.278
2.278-2.34	0.3	863	0.274	16649	0.275	27814	0.939	0.95	62.9611	0.275
2.34-2.408	0.268	1164	0.267	22200	0.267	27061	0.953	0.955	86.3383	0.265
2.408-2.482	0.278	1270	0.254	24288	0.255	26380	0.954	0.961	96.884	0.248
2.482-2.564	0.263	1261	0.232	23993	0.233	25532	0.957	0.968	98.9112	0.221
2.564-2.654	0.25	1208	0.219	23360	0.221	24683	0.965	0.973	99.5341	0.204
2.654-2.754	0.245	1206	0.206	22630	0.208	23912	0.965	0.976	99.6822	0.188
2.754-2.866	0.218	1171	0.186	21761	0.188	22990	0.97	0.979	99.7477	0.168
2.866-2.994	0.209	1139	0.175	20910	0.176	22116	0.971	0.981	99.6971	0.157
2.994-3.14	0.204	1043	0.174	19968	0.175	21087	0.974	0.981	99.6396	0.158
3.14-3.31	0.201	1036	0.176	18954	0.177	20068	0.977	0.983	99.6113	0.166
3.31-3.51	0.211	995	0.189	17929	0.19	19073	0.977	0.984	99.2188	0.181
3.51-3.752	0.198	919	0.186	16864	0.187	17932	0.981	0.985	99.1691	0.181
3.752-4.053	0.178	880	0.167	15664	0.167	16707	0.984	0.988	99.0244	0.163
4.053-4.44	0.137	793	0.125	14397	0.125	15448	0.99	0.992	98.3299	0.126
4.44-4.963	0.124	709	0.109	13038	0.109	14002	0.992	0.994	98.1788	0.112
4.963-5.73	0.157	628	0.127	11569	0.129	12408	0.99	0.993	98.2995	0.13
5.73-7.016	0.156	523	0.139	9877	0.14	10579	0.99	0.992	98.308	0.141
7.016-9.915	0.14	410	0.124	7634	0.125	8268	0.991	0.993	97.2908	0.134
9.915-177.626	0.226	231	0.224	4394	0.224	4791	0.962	0.952	96.5352	0.247

Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

ID	L11 (°2)	L12 (°2)	L13 (°2)	L22 (°2)	L23 (°2)	L33 (°2)	S11 (Å °)	S12 (Å °)	S13 (Å °)	S21 (Å °)	S22 (Å °)	S23 (Å °)	S31 (Å °)	S32 (Å °)	S33 (Å °)	T11 (Å2)	T12 (Å2)	T13 (Å2)	T22 (Å2)	T23 (Å2)	T33 (Å2)	Origin x (Å)	Origin y (Å)	Origin z (Å)
1	0.3984	-0.0799	0.1264	0.5397	0.1278	1.2392	-0.0266	-0.0232	0.042	0.0835	-0.0168	-0.0036	-0.0221	0.0128	0.0434	0.1116	0.0143	-0.0036	0.0084	0.0005	0.0077	49.748	115.7228	45.2193
2	0.876	-0.1138	0.0611	0.57	-0.0314	0.8649	0.0552	-0.0109	-0.2032	0.0552	-0.0711	0.2087	0.2643	-0.2358	0.0159	0.1917	-0.0718	0.0063	0.0766	-0.033	0.1104	28.0923	94.6012	28.8003
3	0.7299	-0.1239	0.1561	0.5475	-0.0443	0.7877	0.0338	-0.0066	0.0897	-0.0786	-0.0701	0.0907	-0.0032	-0.1423	0.0363	0.1256	0.059	-0.026	0.0566	-0.0246	0.0372	35.8743	110.0302	-11.4794
4	0.6478	-0.1152	-0.0624	0.6309	0.1395	0.6731	0.0163	0.0408	-0.0605	-0.1034	-0.0613	-0.0417	0.1003	0.0499	0.045	0.189	0.0852	0.0079	0.0423	0.0049	0.0188	62.5054	89.2551	-18.3862
5	0.7225	0.249	-0.1848	0.5579	-0.0299	0.629	0.0122	-0.0313	0.0258	-0.0202	-0.0147	-0.1877	-0.0033	0.1802	0.0025	0.1185	0.0845	-0.0081	0.1219	0.0166	0.148	92.4783	110.9058	5.6764
6	0.7102	-0.0564	-0.0021	0.5045	-0.0544	0.7973	-0.0138	-0.191	-0.0929	0.1486	-0.0136	-0.1471	0.2343	0.184	0.0275	0.2173	0.1364	-0.0447	0.1744	0.0517	0.1306	85.9936	93.3569	34.7062
7	0.9193	0.1935	-0.0144	0.6291	0.0339	0.5728	-0.0112	0.0096	-0.2059	0.057	-0.0103	-0.0115	0.1778	-0.0488	0.0214	0.0777	-0.0016	0.0208	0.0158	0.0036	0.0539	150.4957	1.5805	41.6088
8	0.458	-0.0093	0.1461	0.4082	0.0593	1.045	-0.0285	-0.0376	0.0435	0.0793	0.0008	-0.0022	-0.1019	0.0095	0.0276	0.0493	0.0139	0.0008	0.0126	0.0002	0.0056	160.3748	30.3435	57.9303
9	0.9316	0.0433	0.0474	0.4368	0.0459	0.9251	0.0119	-0.1995	-0.0607	0.1675	-0.0485	-0.209	0.0827	0.2908	0.0366	0.0796	0.0189	-0.0528	0.2125	0.0538	0.1739	202.772	26.718	47.3303
10	0.5419	0.2505	0.0329	0.7786	-0.2524	0.5472	0.015	0.0096	0.0924	0.0041	-0.0512	-0.1728	-0.1019	0.1397	0.0362	0.0271	-0.0269	0.0055	0.1085	0.0219	0.1629	200.6572	45.0178	18.2688
11	0.6733	-0.0288	-0.0561	0.5771	-0.0025	0.8684	0.0438	0.0904	-0.0263	-0.0614	-0.0438	-0.0681	0.0547	0.1267	-0	0.0422	0.0548	0.0172	0.08	0.0138	0.019	183.5071	12.1583	-5.6948
12	0.8411	0.0307	0.0454	0.6106	0.0821	0.8315	0.0605	0.0956	0.0774	-0.0238	-0.0573	0.0874	-0.0224	-0.1668	-0.0031	0.0313	0.0432	0.0112	0.0838	0.0142	0.0223	150.6224	19.6256	1.3844
13	0.5476	0.0024	-0.1558	0.4252	-0.1814	1.492	0.0009	-0.0537	-0.0606	0.0416	-0.0041	0.0308	0.1403	-0.0326	0.0033	0.0223	-0.0061	0.0028	0.0087	0.0054	0.009	91.9539	24.0931	44.3701
14	0.8756	0.0276	-0.0178	0.5196	-0.0994	0.747	0.0532	-0.0176	0.1017	0.054	-0.0538	-0.0422	-0.1306	0.1705	0.0006	0.0282	-0.0337	0.0026	0.0536	0.0016	0.0158	114.9777	43.7392	28.0085
15	0.9524	0.0611	0.1567	0.532	-0.0805	0.7267	0.0359	0.0564	-0.078	-0.0759	0.0434	0.2144	0.054	-0.2334	-0.0793	0.0322	0.0123	-0.0237	0.1328	0.047	0.172	50.0743	31.5753	4.4803
16	0.7187	-0.1135	-0.0645	0.5431	-0.056	0.8515	0.0038	-0.184	0.1262	0.1376	0.0462	0.1557	-0.2713	-0.1867	-0.05	0.1261	0.0902	0.0552	0.1522	0.0029	0.1536	56.9732	48.2652	33.7645
17	1.0055	-0.0146	-0.011	0.4286	-0.0716	0.7068	0.0738	0.1102	-0.1672	-0.1064	-0.0719	-0.0047	0.1624	0.169	-0.0018	0.0814	0.0879	-0.0109	0.1035	-0.0174	0.028	106.0009	28.632	-12.3548
18	0.6718	-0.0251	0.2261	0.6103	-0.0905	1.0412	0.0174	0.0821	0.0561	-0.0822	-0.0198	0.074	-0.1295	-0.0138	0.0024	0.0678	0.0442	-0.0013	0.0459	0.0132	0.0182	81.2962	51.6913	-19.1543

• Refinement TLS group: Selection: ALL