PDB-2g18: Crystal Structure of Nostoc sp. 7120 phycocyanobilin:ferredoxin o...

Basic information

• Entry: Database: PDB / ID: 2g18
• Title: Crystal Structure of Nostoc sp. 7120 phycocyanobilin:ferredoxin oxidoreductase (PcyA) Apoprotein
• Components: Phycocyanobilin:ferredoxin oxidoreductase
• Keywords: OXIDOREDUCTASE / alpha-beta-alpha sandwich

Function / homology

Function:

phycocyanobilin:ferredoxin oxidoreductase / phycocyanobilin:ferredoxin oxidoreductase activity / phytochromobilin biosynthetic process / cobalt ion binding

Domain/homology:

Phycocyanobilin:ferredoxin oxidoreductase / oxygen-dependent coproporphyrinogen oxidase - #20 / Ferredoxin-dependent bilin reductase / Ferredoxin-dependent bilin reductase / oxygen-dependent coproporphyrinogen oxidase / 3-Layer(aba) Sandwich / Alpha Beta

Component:

Phycocyanobilin:ferredoxin oxidoreductase

• Biological species: Anabaena sp. (bacteria)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.5 Å
• Authors: Tu, S.-L. / Lagarias, J.C. / Fisher, A.J.
• Citation: Journal: Biochemistry / Year: 2007; Title: Insight into the radical mechanism of phycocyanobilin-ferredoxin oxidoreductase (PcyA) revealed by X-ray crystallography and biochemical measurements.; Authors: Tu, S.L. / Rockwell, N.C. / Lagarias, J.C. / Fisher, A.J.

History

Deposition	Feb 13, 2006	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Dec 26, 2006	Provider: repository / Type: Initial release
Revision 1.1	May 1, 2008	Group: Version format compliance
Revision 1.2	Jul 13, 2011	Group: Advisory / Version format compliance
Revision 1.3	Jan 22, 2020	Group: Database references / Derived calculations Category: pdbx_struct_assembly / pdbx_struct_assembly_gen / pdbx_struct_assembly_prop / struct_ref_seq_dif Item: _struct_ref_seq_dif.details
Revision 1.4	Feb 14, 2024	Group: Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond / database_2 / pdbx_struct_conn_angle / struct_conn / struct_ncs_dom_lim / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Assembly

Deposited unit

A: Phycocyanobilin:ferredoxin oxidoreductase

B: Phycocyanobilin:ferredoxin oxidoreductase

C: Phycocyanobilin:ferredoxin oxidoreductase

D: Phycocyanobilin:ferredoxin oxidoreductase

E: Phycocyanobilin:ferredoxin oxidoreductase

F: Phycocyanobilin:ferredoxin oxidoreductase

G: Phycocyanobilin:ferredoxin oxidoreductase

H: Phycocyanobilin:ferredoxin oxidoreductase

I: Phycocyanobilin:ferredoxin oxidoreductase

J: Phycocyanobilin:ferredoxin oxidoreductase

K: Phycocyanobilin:ferredoxin oxidoreductase

L: Phycocyanobilin:ferredoxin oxidoreductase

hetero molecules

Summary:

• 345 kDa, 12 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	345,108	13
Polymers	345,068	12
Non-polymers	40	1
Water	3,423	190

1

A: Phycocyanobilin:ferredoxin oxidoreductase

Summary:

• defined by author&software
• 28.8 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	28,756	1
Polymers	28,756	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

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

Calculated values:

Method	PISA

2

B: Phycocyanobilin:ferredoxin oxidoreductase

Summary:

• defined by author&software
• 28.8 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	28,756	1
Polymers	28,756	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

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

Calculated values:

Method	PISA

3

C: Phycocyanobilin:ferredoxin oxidoreductase

Summary:

• defined by author&software
• 28.8 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	28,756	1
Polymers	28,756	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

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

Calculated values:

Method	PISA

4

D: Phycocyanobilin:ferredoxin oxidoreductase

Summary:

• defined by author&software
• 28.8 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	28,756	1
Polymers	28,756	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

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

Calculated values:

Method	PISA

5

E: Phycocyanobilin:ferredoxin oxidoreductase

hetero molecules

Summary:

• defined by author&software
• 28.8 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	28,796	2
Polymers	28,756	1
Non-polymers	40	1
Water	18	1

Symmetry operations:

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

Calculated values:

Method	PISA

6

F: Phycocyanobilin:ferredoxin oxidoreductase

Summary:

• defined by author&software
• 28.8 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	28,756	1
Polymers	28,756	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

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

Calculated values:

Method	PISA

7

G: Phycocyanobilin:ferredoxin oxidoreductase

Summary:

• defined by author&software
• 28.8 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	28,756	1
Polymers	28,756	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

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

Calculated values:

Method	PISA

8

H: Phycocyanobilin:ferredoxin oxidoreductase

Summary:

• defined by author&software
• 28.8 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	28,756	1
Polymers	28,756	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

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

Calculated values:

Method	PISA

9

I: Phycocyanobilin:ferredoxin oxidoreductase

Summary:

• defined by author&software
• 28.8 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	28,756	1
Polymers	28,756	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

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

Calculated values:

Method	PISA

10

J: Phycocyanobilin:ferredoxin oxidoreductase

Summary:

• defined by author&software
• 28.8 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	28,756	1
Polymers	28,756	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

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

Calculated values:

Method	PISA

11

K: Phycocyanobilin:ferredoxin oxidoreductase

Summary:

• defined by author&software
• 28.8 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	28,756	1
Polymers	28,756	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

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

Calculated values:

Method	PISA

12

L: Phycocyanobilin:ferredoxin oxidoreductase

Summary:

• defined by author&software
• 28.8 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	28,756	1
Polymers	28,756	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

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

Calculated values:

Method	PISA

Unit cell

Length a, b, c (Å)	78.501, 141.332, 121.842
Angle α, β, γ (deg.)	90.00, 91.29, 90.00
Int Tables number	4
Space group name H-M	P1211

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
2	1	B
3	1	C
4	1	D
5	1	E
6	1	F
7	1	G
8	1	H
9	1	I
10	1	J
11	1	K
12	1	L
13	1	A
14	1	B
15	1	C
16	1	D
17	1	E
18	1	F
19	1	G
20	1	H
21	1	I
22	1	J
23	1	K
24	1	L
25	1	A
26	1	B
27	1	C
28	1	D
29	1	E
30	1	F
31	1	G
32	1	H
33	1	I
34	1	J
35	1	K
36	1	L
37	1	A
38	1	B
39	1	C
40	1	D
41	1	E
42	1	F
43	1	G
44	1	H
45	1	I
46	1	J
47	1	K
48	1	L
49	1	A
50	1	B
51	1	C
52	1	D
53	1	E
54	1	F
55	1	G
56	1	H
57	1	I
58	1	J
59	1	K
60	1	L
61	1	A
62	1	B
63	1	C
64	1	D
65	1	E
66	1	F
67	1	G
68	1	H
69	1	I
70	1	J
71	1	K
72	1	L
73	1	A
74	1	B
75	1	C
76	1	D
77	1	E
78	1	F
79	1	G
80	1	H
81	1	I
82	1	J
83	1	K
84	1	L
85	1	A
86	1	B
87	1	C
88	1	D
89	1	E
90	1	F
91	1	G
92	1	H
93	1	I
94	1	J
95	1	K
96	1	L
97	1	A
98	1	B
99	1	C
100	1	D
101	1	E
102	1	F
103	1	G
104	1	H
105	1	I
106	1	J
107	1	K
108	1	L
109	1	A
110	1	B
111	1	C
112	1	D
113	1	E
114	1	F
115	1	G
116	1	H
117	1	I
118	1	J
119	1	K
120	1	L
121	1	A
122	1	B
123	1	C
124	1	D
125	1	E
126	1	F
127	1	G
128	1	H
129	1	I
130	1	J
131	1	K
132	1	L
133	1	A
134	1	B
135	1	C
136	1	D
137	1	E
138	1	F
139	1	G
140	1	H
141	1	I
142	1	J
143	1	K
144	1	L
145	1	A
146	1	B
147	1	C
148	1	D
149	1	E
150	1	F
151	1	G
152	1	H
153	1	I
154	1	J
155	1	K
156	1	L
157	1	A
158	1	B
159	1	C
160	1	D
161	1	E
162	1	F
163	1	G
164	1	H
165	1	I
166	1	J
167	1	K
168	1	L
169	1	A
170	1	B
171	1	C
172	1	D
173	1	E
174	1	F
175	1	G
176	1	H
177	1	I
178	1	J
179	1	K
180	1	L
181	1	A
182	1	B
183	1	C
184	1	D
185	1	E
186	1	F
187	1	G
188	1	H
189	1	I
190	1	J
191	1	K
192	1	L
193	1	A
194	1	B
195	1	C
196	1	D
197	1	E
198	1	F
199	1	G
200	1	H
201	1	I
202	1	J
203	1	K
204	1	L
205	1	A
206	1	B
207	1	C
208	1	D
209	1	E
210	1	F
211	1	G
212	1	H
213	1	I
214	1	J
215	1	K
216	1	L
217	1	A
218	1	B
219	1	C
220	1	D
221	1	E
222	1	F
223	1	G
224	1	H
225	1	I
226	1	J
227	1	K
228	1	L
229	1	A
230	1	B
231	1	C
232	1	D
233	1	E
234	1	F
235	1	G
236	1	H
237	1	I
238	1	J
239	1	K
240	1	L
241	1	A
242	1	B
243	1	C
244	1	D
245	1	E
246	1	F
247	1	G
248	1	H
249	1	I
250	1	J
251	1	K
252	1	L
253	1	A
254	1	B
255	1	C
256	1	D
257	1	E
258	1	F
259	1	G
260	1	H
261	1	I
262	1	J
263	1	K
264	1	L
265	1	A
266	1	B
267	1	C
268	1	D
269	1	E
270	1	F
271	1	G
272	1	H
273	1	I
274	1	J
275	1	K
276	1	L
277	1	A
278	1	B
279	1	C
280	1	D
281	1	E
282	1	F
283	1	G
284	1	H
285	1	I
286	1	J
287	1	K
288	1	L
289	1	A
290	1	B
291	1	C
292	1	D
293	1	E
294	1	F
295	1	G
296	1	H
297	1	I
298	1	J
299	1	K
300	1	L
301	1	A
302	1	B
303	1	C
304	1	D
305	1	E
306	1	F
307	1	G
308	1	H
309	1	I
310	1	J
311	1	K
312	1	L
313	1	A
314	1	B
315	1	C
316	1	D
317	1	E
318	1	F
319	1	G
320	1	H
321	1	I
322	1	J
323	1	K
324	1	L
325	1	A
326	1	B
327	1	C
328	1	D
329	1	E
330	1	F
331	1	G
332	1	H
333	1	I
334	1	J
335	1	K
336	1	L
337	1	A
338	1	B
339	1	C
340	1	D
341	1	E
342	1	F
343	1	G
344	1	H
345	1	I
346	1	J
347	1	K
348	1	L
349	1	A
350	1	B
351	1	C
352	1	D
353	1	E
354	1	F
355	1	G
356	1	H
357	1	I
358	1	J
359	1	K
360	1	L
361	1	A
362	1	B
363	1	C
364	1	D
365	1	E
366	1	F
367	1	G
368	1	H
369	1	I
370	1	J
371	1	K
372	1	L
373	1	A
374	1	B
375	1	C
376	1	D
377	1	E
378	1	F
379	1	G
380	1	H
381	1	I
382	1	J
383	1	K
384	1	L
385	1	A
386	1	B
387	1	C
388	1	D
389	1	E
390	1	F
391	1	G
392	1	H
393	1	I
394	1	J
395	1	K
396	1	L
397	1	A
398	1	B
399	1	C
400	1	D
401	1	E
402	1	F
403	1	G
404	1	H
405	1	I
406	1	J
407	1	K
408	1	L
409	1	A
410	1	B
411	1	C
412	1	D
413	1	E
414	1	F
415	1	G
416	1	H
417	1	I
418	1	J
419	1	K
420	1	L
421	1	A
422	1	B
423	1	C
424	1	D
425	1	E
426	1	F
427	1	G
428	1	H
429	1	I
430	1	J
431	1	K
432	1	L
433	1	A
434	1	B
435	1	C
436	1	D
437	1	E
438	1	F
439	1	G
440	1	H
441	1	I
442	1	J
443	1	K
444	1	L
445	1	A
446	1	B
447	1	C
448	1	D
449	1	E
450	1	F
451	1	G
452	1	H
453	1	I
454	1	J
455	1	K
456	1	L
457	1	A
458	1	B
459	1	C
460	1	D
461	1	E
462	1	F
463	1	G
464	1	H
465	1	I
466	1	J
467	1	K
468	1	L

NCS domain segments:

Ens-ID: 1

Dom-ID	Component-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Refine code	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	SER	SER	ILE	ILE	1	A	A	8 - 17	16 - 25
2	1	SER	SER	ILE	ILE	1	B	B	8 - 17	16 - 25
3	1	SER	SER	ILE	ILE	1	C	C	8 - 17	16 - 25
4	1	SER	SER	ILE	ILE	1	D	D	8 - 17	16 - 25
5	1	SER	SER	ILE	ILE	1	E	E	8 - 17	16 - 25
6	1	SER	SER	ILE	ILE	1	F	F	8 - 17	16 - 25
7	1	SER	SER	ILE	ILE	1	G	G	8 - 17	16 - 25
8	1	SER	SER	ILE	ILE	1	H	H	8 - 17	16 - 25
9	1	SER	SER	ILE	ILE	1	I	I	8 - 17	16 - 25
10	1	SER	SER	ILE	ILE	1	J	J	8 - 17	16 - 25
11	1	SER	SER	ILE	ILE	1	K	K	8 - 17	16 - 25
12	1	SER	SER	ILE	ILE	1	L	L	8 - 17	16 - 25
13	2	ARG	ARG	GLN	GLN	3	A	A	18 - 19	26 - 27
14	2	ARG	ARG	GLN	GLN	3	B	B	18 - 19	26 - 27
15	2	ARG	ARG	GLN	GLN	3	C	C	18 - 19	26 - 27
16	2	ARG	ARG	GLN	GLN	3	D	D	18 - 19	26 - 27
17	2	ARG	ARG	GLN	GLN	3	E	E	18 - 19	26 - 27
18	2	ARG	ARG	GLN	GLN	3	F	F	18 - 19	26 - 27
19	2	ARG	ARG	GLN	GLN	3	G	G	18 - 19	26 - 27
20	2	ARG	ARG	GLN	GLN	3	H	H	18 - 19	26 - 27
21	2	ARG	ARG	GLN	GLN	3	I	I	18 - 19	26 - 27
22	2	ARG	ARG	GLN	GLN	3	J	J	18 - 19	26 - 27
23	2	ARG	ARG	GLN	GLN	3	K	K	18 - 19	26 - 27
24	2	ARG	ARG	GLN	GLN	3	L	L	18 - 19	26 - 27
25	3	LEU	LEU	GLU	GLU	1	A	A	20 - 25	28 - 33
26	3	LEU	LEU	GLU	GLU	1	B	B	20 - 25	28 - 33
27	3	LEU	LEU	GLU	GLU	1	C	C	20 - 25	28 - 33
28	3	LEU	LEU	GLU	GLU	1	D	D	20 - 25	28 - 33
29	3	LEU	LEU	GLU	GLU	1	E	E	20 - 25	28 - 33
30	3	LEU	LEU	GLU	GLU	1	F	F	20 - 25	28 - 33
31	3	LEU	LEU	GLU	GLU	1	G	G	20 - 25	28 - 33
32	3	LEU	LEU	GLU	GLU	1	H	H	20 - 25	28 - 33
33	3	LEU	LEU	GLU	GLU	1	I	I	20 - 25	28 - 33
34	3	LEU	LEU	GLU	GLU	1	J	J	20 - 25	28 - 33
35	3	LEU	LEU	GLU	GLU	1	K	K	20 - 25	28 - 33
36	3	LEU	LEU	GLU	GLU	1	L	L	20 - 25	28 - 33
37	4	GLU	GLU	GLU	GLU	3	A	A	26	34
38	4	GLU	GLU	GLU	GLU	3	B	B	26	34
39	4	GLU	GLU	GLU	GLU	3	C	C	26	34
40	4	GLU	GLU	GLU	GLU	3	D	D	26	34
41	4	GLU	GLU	GLU	GLU	3	E	E	26	34
42	4	GLU	GLU	GLU	GLU	3	F	F	26	34
43	4	GLU	GLU	GLU	GLU	3	G	G	26	34
44	4	GLU	GLU	GLU	GLU	3	H	H	26	34
45	4	GLU	GLU	GLU	GLU	3	I	I	26	34
46	4	GLU	GLU	GLU	GLU	3	J	J	26	34
47	4	GLU	GLU	GLU	GLU	3	K	K	26	34
48	4	GLU	GLU	GLU	GLU	3	L	L	26	34
49	5	VAL	VAL	TRP	TRP	1	A	A	27 - 28	35 - 36
50	5	VAL	VAL	TRP	TRP	1	B	B	27 - 28	35 - 36
51	5	VAL	VAL	TRP	TRP	1	C	C	27 - 28	35 - 36
52	5	VAL	VAL	TRP	TRP	1	D	D	27 - 28	35 - 36
53	5	VAL	VAL	TRP	TRP	1	E	E	27 - 28	35 - 36
54	5	VAL	VAL	TRP	TRP	1	F	F	27 - 28	35 - 36
55	5	VAL	VAL	TRP	TRP	1	G	G	27 - 28	35 - 36
56	5	VAL	VAL	TRP	TRP	1	H	H	27 - 28	35 - 36
57	5	VAL	VAL	TRP	TRP	1	I	I	27 - 28	35 - 36
58	5	VAL	VAL	TRP	TRP	1	J	J	27 - 28	35 - 36
59	5	VAL	VAL	TRP	TRP	1	K	K	27 - 28	35 - 36
60	5	VAL	VAL	TRP	TRP	1	L	L	27 - 28	35 - 36
61	6	HIS	HIS	ASP	ASP	3	A	A	29 - 33	37 - 41
62	6	HIS	HIS	ASP	ASP	3	B	B	29 - 33	37 - 41
63	6	HIS	HIS	ASP	ASP	3	C	C	29 - 33	37 - 41
64	6	HIS	HIS	ASP	ASP	3	D	D	29 - 33	37 - 41
65	6	HIS	HIS	ASP	ASP	3	E	E	29 - 33	37 - 41
66	6	HIS	HIS	ASP	ASP	3	F	F	29 - 33	37 - 41
67	6	HIS	HIS	ASP	ASP	3	G	G	29 - 33	37 - 41
68	6	HIS	HIS	ASP	ASP	3	H	H	29 - 33	37 - 41
69	6	HIS	HIS	ASP	ASP	3	I	I	29 - 33	37 - 41
70	6	HIS	HIS	ASP	ASP	3	J	J	29 - 33	37 - 41
71	6	HIS	HIS	ASP	ASP	3	K	K	29 - 33	37 - 41
72	6	HIS	HIS	ASP	ASP	3	L	L	29 - 33	37 - 41
73	7	LEU	LEU	PRO	PRO	1	A	A	34 - 36	42 - 44
74	7	LEU	LEU	PRO	PRO	1	B	B	34 - 36	42 - 44
75	7	LEU	LEU	PRO	PRO	1	C	C	34 - 36	42 - 44
76	7	LEU	LEU	PRO	PRO	1	D	D	34 - 36	42 - 44
77	7	LEU	LEU	PRO	PRO	1	E	E	34 - 36	42 - 44
78	7	LEU	LEU	PRO	PRO	1	F	F	34 - 36	42 - 44
79	7	LEU	LEU	PRO	PRO	1	G	G	34 - 36	42 - 44
80	7	LEU	LEU	PRO	PRO	1	H	H	34 - 36	42 - 44
81	7	LEU	LEU	PRO	PRO	1	I	I	34 - 36	42 - 44
82	7	LEU	LEU	PRO	PRO	1	J	J	34 - 36	42 - 44
83	7	LEU	LEU	PRO	PRO	1	K	K	34 - 36	42 - 44
84	7	LEU	LEU	PRO	PRO	1	L	L	34 - 36	42 - 44
85	8	TYR	TYR	GLU	GLU	3	A	A	37 - 42	45 - 50
86	8	TYR	TYR	GLU	GLU	3	B	B	37 - 42	45 - 50
87	8	TYR	TYR	GLU	GLU	3	C	C	37 - 42	45 - 50
88	8	TYR	TYR	GLU	GLU	3	D	D	37 - 42	45 - 50
89	8	TYR	TYR	GLU	GLU	3	E	E	37 - 42	45 - 50
90	8	TYR	TYR	GLU	GLU	3	F	F	37 - 42	45 - 50
91	8	TYR	TYR	GLU	GLU	3	G	G	37 - 42	45 - 50
92	8	TYR	TYR	GLU	GLU	3	H	H	37 - 42	45 - 50
93	8	TYR	TYR	GLU	GLU	3	I	I	37 - 42	45 - 50
94	8	TYR	TYR	GLU	GLU	3	J	J	37 - 42	45 - 50
95	8	TYR	TYR	GLU	GLU	3	K	K	37 - 42	45 - 50
96	8	TYR	TYR	GLU	GLU	3	L	L	37 - 42	45 - 50
97	9	LEU	LEU	ILE	ILE	1	A	A	43 - 57	51 - 65
98	9	LEU	LEU	ILE	ILE	1	B	B	43 - 57	51 - 65
99	9	LEU	LEU	ILE	ILE	1	C	C	43 - 57	51 - 65
100	9	LEU	LEU	ILE	ILE	1	D	D	43 - 57	51 - 65
101	9	LEU	LEU	ILE	ILE	1	E	E	43 - 57	51 - 65
102	9	LEU	LEU	ILE	ILE	1	F	F	43 - 57	51 - 65
103	9	LEU	LEU	ILE	ILE	1	G	G	43 - 57	51 - 65
104	9	LEU	LEU	ILE	ILE	1	H	H	43 - 57	51 - 65
105	9	LEU	LEU	ILE	ILE	1	I	I	43 - 57	51 - 65
106	9	LEU	LEU	ILE	ILE	1	J	J	43 - 57	51 - 65
107	9	LEU	LEU	ILE	ILE	1	K	K	43 - 57	51 - 65
108	9	LEU	LEU	ILE	ILE	1	L	L	43 - 57	51 - 65
109	10	GLU	GLU	GLU	GLU	3	A	A	58	66
110	10	GLU	GLU	GLU	GLU	3	B	B	58	66
111	10	GLU	GLU	GLU	GLU	3	C	C	58	66
112	10	GLU	GLU	GLU	GLU	3	D	D	58	66
113	10	GLU	GLU	GLU	GLU	3	E	E	58	66
114	10	GLU	GLU	GLU	GLU	3	F	F	58	66
115	10	GLU	GLU	GLU	GLU	3	G	G	58	66
116	10	GLU	GLU	GLU	GLU	3	H	H	58	66
117	10	GLU	GLU	GLU	GLU	3	I	I	58	66
118	10	GLU	GLU	GLU	GLU	3	J	J	58	66
119	10	GLU	GLU	GLU	GLU	3	K	K	58	66
120	10	GLU	GLU	GLU	GLU	3	L	L	58	66
121	11	ASN	ASN	PHE	PHE	1	A	A	59 - 67	67 - 75
122	11	ASN	ASN	PHE	PHE	1	B	B	59 - 67	67 - 75
123	11	ASN	ASN	PHE	PHE	1	C	C	59 - 67	67 - 75
124	11	ASN	ASN	PHE	PHE	1	D	D	59 - 67	67 - 75
125	11	ASN	ASN	PHE	PHE	1	E	E	59 - 67	67 - 75
126	11	ASN	ASN	PHE	PHE	1	F	F	59 - 67	67 - 75
127	11	ASN	ASN	PHE	PHE	1	G	G	59 - 67	67 - 75
128	11	ASN	ASN	PHE	PHE	1	H	H	59 - 67	67 - 75
129	11	ASN	ASN	PHE	PHE	1	I	I	59 - 67	67 - 75
130	11	ASN	ASN	PHE	PHE	1	J	J	59 - 67	67 - 75
131	11	ASN	ASN	PHE	PHE	1	K	K	59 - 67	67 - 75
132	11	ASN	ASN	PHE	PHE	1	L	L	59 - 67	67 - 75
133	12	ARG	ARG	ARG	ARG	3	A	A	68	76
134	12	ARG	ARG	ARG	ARG	3	B	B	68	76
135	12	ARG	ARG	ARG	ARG	3	C	C	68	76
136	12	ARG	ARG	ARG	ARG	3	D	D	68	76
137	12	ARG	ARG	ARG	ARG	3	E	E	68	76
138	12	ARG	ARG	ARG	ARG	3	F	F	68	76
139	12	ARG	ARG	ARG	ARG	3	G	G	68	76
140	12	ARG	ARG	ARG	ARG	3	H	H	68	76
141	12	ARG	ARG	ARG	ARG	3	I	I	68	76
142	12	ARG	ARG	ARG	ARG	3	J	J	68	76
143	12	ARG	ARG	ARG	ARG	3	K	K	68	76
144	12	ARG	ARG	ARG	ARG	3	L	L	68	76
145	13	LYS	LYS	GLY	GLY	1	A	A	69 - 78	77 - 86
146	13	LYS	LYS	GLY	GLY	1	B	B	69 - 78	77 - 86
147	13	LYS	LYS	GLY	GLY	1	C	C	69 - 78	77 - 86
148	13	LYS	LYS	GLY	GLY	1	D	D	69 - 78	77 - 86
149	13	LYS	LYS	GLY	GLY	1	E	E	69 - 78	77 - 86
150	13	LYS	LYS	GLY	GLY	1	F	F	69 - 78	77 - 86
151	13	LYS	LYS	GLY	GLY	1	G	G	69 - 78	77 - 86
152	13	LYS	LYS	GLY	GLY	1	H	H	69 - 78	77 - 86
153	13	LYS	LYS	GLY	GLY	1	I	I	69 - 78	77 - 86
154	13	LYS	LYS	GLY	GLY	1	J	J	69 - 78	77 - 86
155	13	LYS	LYS	GLY	GLY	1	K	K	69 - 78	77 - 86
156	13	LYS	LYS	GLY	GLY	1	L	L	69 - 78	77 - 86
157	14	ASN	ASN	LEU	LEU	3	A	A	79 - 81	87 - 89
158	14	ASN	ASN	LEU	LEU	3	B	B	79 - 81	87 - 89
159	14	ASN	ASN	LEU	LEU	3	C	C	79 - 81	87 - 89
160	14	ASN	ASN	LEU	LEU	3	D	D	79 - 81	87 - 89
161	14	ASN	ASN	LEU	LEU	3	E	E	79 - 81	87 - 89
162	14	ASN	ASN	LEU	LEU	3	F	F	79 - 81	87 - 89
163	14	ASN	ASN	LEU	LEU	3	G	G	79 - 81	87 - 89
164	14	ASN	ASN	LEU	LEU	3	H	H	79 - 81	87 - 89
165	14	ASN	ASN	LEU	LEU	3	I	I	79 - 81	87 - 89
166	14	ASN	ASN	LEU	LEU	3	J	J	79 - 81	87 - 89
167	14	ASN	ASN	LEU	LEU	3	K	K	79 - 81	87 - 89
168	14	ASN	ASN	LEU	LEU	3	L	L	79 - 81	87 - 89
169	15	ASP	ASP	TYR	TYR	1	A	A	82 - 94	90 - 102
170	15	ASP	ASP	TYR	TYR	1	B	B	82 - 94	90 - 102
171	15	ASP	ASP	TYR	TYR	1	C	C	82 - 94	90 - 102
172	15	ASP	ASP	TYR	TYR	1	D	D	82 - 94	90 - 102
173	15	ASP	ASP	TYR	TYR	1	E	E	82 - 94	90 - 102
174	15	ASP	ASP	TYR	TYR	1	F	F	82 - 94	90 - 102
175	15	ASP	ASP	TYR	TYR	1	G	G	82 - 94	90 - 102
176	15	ASP	ASP	TYR	TYR	1	H	H	82 - 94	90 - 102
177	15	ASP	ASP	TYR	TYR	1	I	I	82 - 94	90 - 102
178	15	ASP	ASP	TYR	TYR	1	J	J	82 - 94	90 - 102
179	15	ASP	ASP	TYR	TYR	1	K	K	82 - 94	90 - 102
180	15	ASP	ASP	TYR	TYR	1	L	L	82 - 94	90 - 102
181	16	ASP	ASP	ASP	ASP	3	A	A	95	103
182	16	ASP	ASP	ASP	ASP	3	B	B	95	103
183	16	ASP	ASP	ASP	ASP	3	C	C	95	103
184	16	ASP	ASP	ASP	ASP	3	D	D	95	103
185	16	ASP	ASP	ASP	ASP	3	E	E	95	103
186	16	ASP	ASP	ASP	ASP	3	F	F	95	103
187	16	ASP	ASP	ASP	ASP	3	G	G	95	103
188	16	ASP	ASP	ASP	ASP	3	H	H	95	103
189	16	ASP	ASP	ASP	ASP	3	I	I	95	103
190	16	ASP	ASP	ASP	ASP	3	J	J	95	103
191	16	ASP	ASP	ASP	ASP	3	K	K	95	103
192	16	ASP	ASP	ASP	ASP	3	L	L	95	103
193	17	LEU	LEU	GLY	GLY	1	A	A	96 - 105	104 - 113
194	17	LEU	LEU	GLY	GLY	1	B	B	96 - 105	104 - 113
195	17	LEU	LEU	GLY	GLY	1	C	C	96 - 105	104 - 113
196	17	LEU	LEU	GLY	GLY	1	D	D	96 - 105	104 - 113
197	17	LEU	LEU	GLY	GLY	1	E	E	96 - 105	104 - 113
198	17	LEU	LEU	GLY	GLY	1	F	F	96 - 105	104 - 113
199	17	LEU	LEU	GLY	GLY	1	G	G	96 - 105	104 - 113
200	17	LEU	LEU	GLY	GLY	1	H	H	96 - 105	104 - 113
201	17	LEU	LEU	GLY	GLY	1	I	I	96 - 105	104 - 113
202	17	LEU	LEU	GLY	GLY	1	J	J	96 - 105	104 - 113
203	17	LEU	LEU	GLY	GLY	1	K	K	96 - 105	104 - 113
204	17	LEU	LEU	GLY	GLY	1	L	L	96 - 105	104 - 113
205	18	GLY	GLY	GLN	GLN	6	A	A	106 - 109	114 - 117
206	18	GLY	GLY	GLN	GLN	6	B	B	106 - 109	114 - 117
207	18	GLY	GLY	GLN	GLN	6	C	C	106 - 109	114 - 117
208	18	GLY	GLY	GLN	GLN	6	D	D	106 - 109	114 - 117
209	18	GLY	GLY	GLN	GLN	6	E	E	106 - 109	114 - 117
210	18	GLY	GLY	GLN	GLN	6	F	F	106 - 109	114 - 117
211	18	GLY	GLY	GLN	GLN	6	G	G	106 - 109	114 - 117
212	18	GLY	GLY	GLN	GLN	6	H	H	106 - 109	114 - 117
213	18	GLY	GLY	GLN	GLN	6	I	I	106 - 109	114 - 117
214	18	GLY	GLY	GLN	GLN	6	J	J	106 - 109	114 - 117
215	18	GLY	GLY	GLN	GLN	6	K	K	106 - 109	114 - 117
216	18	GLY	GLY	GLN	GLN	6	L	L	106 - 109	114 - 117
217	19	ILE	ILE	VAL	VAL	1	A	A	110 - 120	118 - 128
218	19	ILE	ILE	VAL	VAL	1	B	B	110 - 120	118 - 128
219	19	ILE	ILE	VAL	VAL	1	C	C	110 - 120	118 - 128
220	19	ILE	ILE	VAL	VAL	1	D	D	110 - 120	118 - 128
221	19	ILE	ILE	VAL	VAL	1	E	E	110 - 120	118 - 128
222	19	ILE	ILE	VAL	VAL	1	F	F	110 - 120	118 - 128
223	19	ILE	ILE	VAL	VAL	1	G	G	110 - 120	118 - 128
224	19	ILE	ILE	VAL	VAL	1	H	H	110 - 120	118 - 128
225	19	ILE	ILE	VAL	VAL	1	I	I	110 - 120	118 - 128
226	19	ILE	ILE	VAL	VAL	1	J	J	110 - 120	118 - 128
227	19	ILE	ILE	VAL	VAL	1	K	K	110 - 120	118 - 128
228	19	ILE	ILE	VAL	VAL	1	L	L	110 - 120	118 - 128
229	20	HIS	HIS	LEU	LEU	6	A	A	121 - 126	129 - 134
230	20	HIS	HIS	LEU	LEU	6	B	B	121 - 126	129 - 134
231	20	HIS	HIS	LEU	LEU	6	C	C	121 - 126	129 - 134
232	20	HIS	HIS	LEU	LEU	6	D	D	121 - 126	129 - 134
233	20	HIS	HIS	LEU	LEU	6	E	E	121 - 126	129 - 134
234	20	HIS	HIS	LEU	LEU	6	F	F	121 - 126	129 - 134
235	20	HIS	HIS	LEU	LEU	6	G	G	121 - 126	129 - 134
236	20	HIS	HIS	LEU	LEU	6	H	H	121 - 126	129 - 134
237	20	HIS	HIS	LEU	LEU	6	I	I	121 - 126	129 - 134
238	20	HIS	HIS	LEU	LEU	6	J	J	121 - 126	129 - 134
239	20	HIS	HIS	LEU	LEU	6	K	K	121 - 126	129 - 134
240	20	HIS	HIS	LEU	LEU	6	L	L	121 - 126	129 - 134
241	21	PRO	PRO	PRO	PRO	1	A	A	127	135
242	21	PRO	PRO	PRO	PRO	1	B	B	127	135
243	21	PRO	PRO	PRO	PRO	1	C	C	127	135
244	21	PRO	PRO	PRO	PRO	1	D	D	127	135
245	21	PRO	PRO	PRO	PRO	1	E	E	127	135
246	21	PRO	PRO	PRO	PRO	1	F	F	127	135
247	21	PRO	PRO	PRO	PRO	1	G	G	127	135
248	21	PRO	PRO	PRO	PRO	1	H	H	127	135
249	21	PRO	PRO	PRO	PRO	1	I	I	127	135
250	21	PRO	PRO	PRO	PRO	1	J	J	127	135
251	21	PRO	PRO	PRO	PRO	1	K	K	127	135
252	21	PRO	PRO	PRO	PRO	1	L	L	127	135
253	22	GLU	GLU	GLU	GLU	3	A	A	128	136
254	22	GLU	GLU	GLU	GLU	3	B	B	128	136
255	22	GLU	GLU	GLU	GLU	3	C	C	128	136
256	22	GLU	GLU	GLU	GLU	3	D	D	128	136
257	22	GLU	GLU	GLU	GLU	3	E	E	128	136
258	22	GLU	GLU	GLU	GLU	3	F	F	128	136
259	22	GLU	GLU	GLU	GLU	3	G	G	128	136
260	22	GLU	GLU	GLU	GLU	3	H	H	128	136
261	22	GLU	GLU	GLU	GLU	3	I	I	128	136
262	22	GLU	GLU	GLU	GLU	3	J	J	128	136
263	22	GLU	GLU	GLU	GLU	3	K	K	128	136
264	22	GLU	GLU	GLU	GLU	3	L	L	128	136
265	23	SER	SER	LEU	LEU	1	A	A	129 - 134	137 - 142
266	23	SER	SER	LEU	LEU	1	B	B	129 - 134	137 - 142
267	23	SER	SER	LEU	LEU	1	C	C	129 - 134	137 - 142
268	23	SER	SER	LEU	LEU	1	D	D	129 - 134	137 - 142
269	23	SER	SER	LEU	LEU	1	E	E	129 - 134	137 - 142
270	23	SER	SER	LEU	LEU	1	F	F	129 - 134	137 - 142
271	23	SER	SER	LEU	LEU	1	G	G	129 - 134	137 - 142
272	23	SER	SER	LEU	LEU	1	H	H	129 - 134	137 - 142
273	23	SER	SER	LEU	LEU	1	I	I	129 - 134	137 - 142
274	23	SER	SER	LEU	LEU	1	J	J	129 - 134	137 - 142
275	23	SER	SER	LEU	LEU	1	K	K	129 - 134	137 - 142
276	23	SER	SER	LEU	LEU	1	L	L	129 - 134	137 - 142
277	24	THR	THR	GLN	GLN	5	A	A	135 - 144	143 - 152
278	24	THR	THR	GLN	GLN	5	B	B	135 - 144	143 - 152
279	24	THR	THR	GLN	GLN	5	C	C	135 - 144	143 - 152
280	24	THR	THR	GLN	GLN	5	D	D	135 - 144	143 - 152
281	24	THR	THR	GLN	GLN	5	E	E	135 - 144	143 - 152
282	24	THR	THR	GLN	GLN	5	F	F	135 - 144	143 - 152
283	24	THR	THR	GLN	GLN	5	G	G	135 - 144	143 - 152
284	24	THR	THR	GLN	GLN	5	H	H	135 - 144	143 - 152
285	24	THR	THR	GLN	GLN	5	I	I	135 - 144	143 - 152
286	24	THR	THR	GLN	GLN	5	J	J	135 - 144	143 - 152
287	24	THR	THR	GLN	GLN	5	K	K	135 - 144	143 - 152
288	24	THR	THR	GLN	GLN	5	L	L	135 - 144	143 - 152
289	25	PRO	PRO	LEU	LEU	1	A	A	145 - 148	153 - 156
290	25	PRO	PRO	LEU	LEU	1	B	B	145 - 148	153 - 156
291	25	PRO	PRO	LEU	LEU	1	C	C	145 - 148	153 - 156
292	25	PRO	PRO	LEU	LEU	1	D	D	145 - 148	153 - 156
293	25	PRO	PRO	LEU	LEU	1	E	E	145 - 148	153 - 156
294	25	PRO	PRO	LEU	LEU	1	F	F	145 - 148	153 - 156
295	25	PRO	PRO	LEU	LEU	1	G	G	145 - 148	153 - 156
296	25	PRO	PRO	LEU	LEU	1	H	H	145 - 148	153 - 156
297	25	PRO	PRO	LEU	LEU	1	I	I	145 - 148	153 - 156
298	25	PRO	PRO	LEU	LEU	1	J	J	145 - 148	153 - 156
299	25	PRO	PRO	LEU	LEU	1	K	K	145 - 148	153 - 156
300	25	PRO	PRO	LEU	LEU	1	L	L	145 - 148	153 - 156
301	26	PRO	PRO	ASN	ASN	6	A	A	149 - 153	157 - 161
302	26	PRO	PRO	ASN	ASN	6	B	B	149 - 153	157 - 161
303	26	PRO	PRO	ASN	ASN	6	C	C	149 - 153	157 - 161
304	26	PRO	PRO	ASN	ASN	6	D	D	149 - 153	157 - 161
305	26	PRO	PRO	ASN	ASN	6	E	E	149 - 153	157 - 161
306	26	PRO	PRO	ASN	ASN	6	F	F	149 - 153	157 - 161
307	26	PRO	PRO	ASN	ASN	6	G	G	149 - 153	157 - 161
308	26	PRO	PRO	ASN	ASN	6	H	H	149 - 153	157 - 161
309	26	PRO	PRO	ASN	ASN	6	I	I	149 - 153	157 - 161
310	26	PRO	PRO	ASN	ASN	6	J	J	149 - 153	157 - 161
311	26	PRO	PRO	ASN	ASN	6	K	K	149 - 153	157 - 161
312	26	PRO	PRO	ASN	ASN	6	L	L	149 - 153	157 - 161
313	27	ILE	ILE	SER	SER	1	A	A	154 - 156	162 - 164
314	27	ILE	ILE	SER	SER	1	B	B	154 - 156	162 - 164
315	27	ILE	ILE	SER	SER	1	C	C	154 - 156	162 - 164
316	27	ILE	ILE	SER	SER	1	D	D	154 - 156	162 - 164
317	27	ILE	ILE	SER	SER	1	E	E	154 - 156	162 - 164
318	27	ILE	ILE	SER	SER	1	F	F	154 - 156	162 - 164
319	27	ILE	ILE	SER	SER	1	G	G	154 - 156	162 - 164
320	27	ILE	ILE	SER	SER	1	H	H	154 - 156	162 - 164
321	27	ILE	ILE	SER	SER	1	I	I	154 - 156	162 - 164
322	27	ILE	ILE	SER	SER	1	J	J	154 - 156	162 - 164
323	27	ILE	ILE	SER	SER	1	K	K	154 - 156	162 - 164
324	27	ILE	ILE	SER	SER	1	L	L	154 - 156	162 - 164
325	28	ASP	ASP	PHE	PHE	3	A	A	157 - 158	165 - 166
326	28	ASP	ASP	PHE	PHE	3	B	B	157 - 158	165 - 166
327	28	ASP	ASP	PHE	PHE	3	C	C	157 - 158	165 - 166
328	28	ASP	ASP	PHE	PHE	3	D	D	157 - 158	165 - 166
329	28	ASP	ASP	PHE	PHE	3	E	E	157 - 158	165 - 166
330	28	ASP	ASP	PHE	PHE	3	F	F	157 - 158	165 - 166
331	28	ASP	ASP	PHE	PHE	3	G	G	157 - 158	165 - 166
332	28	ASP	ASP	PHE	PHE	3	H	H	157 - 158	165 - 166
333	28	ASP	ASP	PHE	PHE	3	I	I	157 - 158	165 - 166
334	28	ASP	ASP	PHE	PHE	3	J	J	157 - 158	165 - 166
335	28	ASP	ASP	PHE	PHE	3	K	K	157 - 158	165 - 166
336	28	ASP	ASP	PHE	PHE	3	L	L	157 - 158	165 - 166
337	29	CYS	CYS	VAL	VAL	1	A	A	159 - 162	167 - 170
338	29	CYS	CYS	VAL	VAL	1	B	B	159 - 162	167 - 170
339	29	CYS	CYS	VAL	VAL	1	C	C	159 - 162	167 - 170
340	29	CYS	CYS	VAL	VAL	1	D	D	159 - 162	167 - 170
341	29	CYS	CYS	VAL	VAL	1	E	E	159 - 162	167 - 170
342	29	CYS	CYS	VAL	VAL	1	F	F	159 - 162	167 - 170
343	29	CYS	CYS	VAL	VAL	1	G	G	159 - 162	167 - 170
344	29	CYS	CYS	VAL	VAL	1	H	H	159 - 162	167 - 170
345	29	CYS	CYS	VAL	VAL	1	I	I	159 - 162	167 - 170
346	29	CYS	CYS	VAL	VAL	1	J	J	159 - 162	167 - 170
347	29	CYS	CYS	VAL	VAL	1	K	K	159 - 162	167 - 170
348	29	CYS	CYS	VAL	VAL	1	L	L	159 - 162	167 - 170
349	30	ARG	ARG	ARG	ARG	3	A	A	163	171
350	30	ARG	ARG	ARG	ARG	3	B	B	163	171
351	30	ARG	ARG	ARG	ARG	3	C	C	163	171
352	30	ARG	ARG	ARG	ARG	3	D	D	163	171
353	30	ARG	ARG	ARG	ARG	3	E	E	163	171
354	30	ARG	ARG	ARG	ARG	3	F	F	163	171
355	30	ARG	ARG	ARG	ARG	3	G	G	163	171
356	30	ARG	ARG	ARG	ARG	3	H	H	163	171
357	30	ARG	ARG	ARG	ARG	3	I	I	163	171
358	30	ARG	ARG	ARG	ARG	3	J	J	163	171
359	30	ARG	ARG	ARG	ARG	3	K	K	163	171
360	30	ARG	ARG	ARG	ARG	3	L	L	163	171
361	31	PRO	PRO	PRO	PRO	1	A	A	164 - 167	172 - 175
362	31	PRO	PRO	PRO	PRO	1	B	B	164 - 167	172 - 175
363	31	PRO	PRO	PRO	PRO	1	C	C	164 - 167	172 - 175
364	31	PRO	PRO	PRO	PRO	1	D	D	164 - 167	172 - 175
365	31	PRO	PRO	PRO	PRO	1	E	E	164 - 167	172 - 175
366	31	PRO	PRO	PRO	PRO	1	F	F	164 - 167	172 - 175
367	31	PRO	PRO	PRO	PRO	1	G	G	164 - 167	172 - 175
368	31	PRO	PRO	PRO	PRO	1	H	H	164 - 167	172 - 175
369	31	PRO	PRO	PRO	PRO	1	I	I	164 - 167	172 - 175
370	31	PRO	PRO	PRO	PRO	1	J	J	164 - 167	172 - 175
371	31	PRO	PRO	PRO	PRO	1	K	K	164 - 167	172 - 175
372	31	PRO	PRO	PRO	PRO	1	L	L	164 - 167	172 - 175
373	32	GLU	GLU	GLU	GLU	3	A	A	168	176
374	32	GLU	GLU	GLU	GLU	3	B	B	168	176
375	32	GLU	GLU	GLU	GLU	3	C	C	168	176
376	32	GLU	GLU	GLU	GLU	3	D	D	168	176
377	32	GLU	GLU	GLU	GLU	3	E	E	168	176
378	32	GLU	GLU	GLU	GLU	3	F	F	168	176
379	32	GLU	GLU	GLU	GLU	3	G	G	168	176
380	32	GLU	GLU	GLU	GLU	3	H	H	168	176
381	32	GLU	GLU	GLU	GLU	3	I	I	168	176
382	32	GLU	GLU	GLU	GLU	3	J	J	168	176
383	32	GLU	GLU	GLU	GLU	3	K	K	168	176
384	32	GLU	GLU	GLU	GLU	3	L	L	168	176
385	33	GLU	GLU	SER	SER	1	A	A	169 - 192	177 - 200
386	33	GLU	GLU	SER	SER	1	B	B	169 - 192	177 - 200
387	33	GLU	GLU	SER	SER	1	C	C	169 - 192	177 - 200
388	33	GLU	GLU	SER	SER	1	D	D	169 - 192	177 - 200
389	33	GLU	GLU	SER	SER	1	E	E	169 - 192	177 - 200
390	33	GLU	GLU	SER	SER	1	F	F	169 - 192	177 - 200
391	33	GLU	GLU	SER	SER	1	G	G	169 - 192	177 - 200
392	33	GLU	GLU	SER	SER	1	H	H	169 - 192	177 - 200
393	33	GLU	GLU	SER	SER	1	I	I	169 - 192	177 - 200
394	33	GLU	GLU	SER	SER	1	J	J	169 - 192	177 - 200
395	33	GLU	GLU	SER	SER	1	K	K	169 - 192	177 - 200
396	33	GLU	GLU	SER	SER	1	L	L	169 - 192	177 - 200
397	34	PRO	PRO	LEU	LEU	6	A	A	193 - 203	201 - 211
398	34	PRO	PRO	LEU	LEU	6	B	B	193 - 203	201 - 211
399	34	PRO	PRO	LEU	LEU	6	C	C	193 - 203	201 - 211
400	34	PRO	PRO	LEU	LEU	6	D	D	193 - 203	201 - 211
401	34	PRO	PRO	LEU	LEU	6	E	E	193 - 203	201 - 211
402	34	PRO	PRO	LEU	LEU	6	F	F	193 - 203	201 - 211
403	34	PRO	PRO	LEU	LEU	6	G	G	193 - 203	201 - 211
404	34	PRO	PRO	LEU	LEU	6	H	H	193 - 203	201 - 211
405	34	PRO	PRO	LEU	LEU	6	I	I	193 - 203	201 - 211
406	34	PRO	PRO	LEU	LEU	6	J	J	193 - 203	201 - 211
407	34	PRO	PRO	LEU	LEU	6	K	K	193 - 203	201 - 211
408	34	PRO	PRO	LEU	LEU	6	L	L	193 - 203	201 - 211
409	35	ALA	ALA	GLN	GLN	1	A	A	204 - 206	212 - 214
410	35	ALA	ALA	GLN	GLN	1	B	B	204 - 206	212 - 214
411	35	ALA	ALA	GLN	GLN	1	C	C	204 - 206	212 - 214
412	35	ALA	ALA	GLN	GLN	1	D	D	204 - 206	212 - 214
413	35	ALA	ALA	GLN	GLN	1	E	E	204 - 206	212 - 214
414	35	ALA	ALA	GLN	GLN	1	F	F	204 - 206	212 - 214
415	35	ALA	ALA	GLN	GLN	1	G	G	204 - 206	212 - 214
416	35	ALA	ALA	GLN	GLN	1	H	H	204 - 206	212 - 214
417	35	ALA	ALA	GLN	GLN	1	I	I	204 - 206	212 - 214
418	35	ALA	ALA	GLN	GLN	1	J	J	204 - 206	212 - 214
419	35	ALA	ALA	GLN	GLN	1	K	K	204 - 206	212 - 214
420	35	ALA	ALA	GLN	GLN	1	L	L	204 - 206	212 - 214
421	36	HIS	HIS	HIS	HIS	3	A	A	207	215
422	36	HIS	HIS	HIS	HIS	3	B	B	207	215
423	36	HIS	HIS	HIS	HIS	3	C	C	207	215
424	36	HIS	HIS	HIS	HIS	3	D	D	207	215
425	36	HIS	HIS	HIS	HIS	3	E	E	207	215
426	36	HIS	HIS	HIS	HIS	3	F	F	207	215
427	36	HIS	HIS	HIS	HIS	3	G	G	207	215
428	36	HIS	HIS	HIS	HIS	3	H	H	207	215
429	36	HIS	HIS	HIS	HIS	3	I	I	207	215
430	36	HIS	HIS	HIS	HIS	3	J	J	207	215
431	36	HIS	HIS	HIS	HIS	3	K	K	207	215
432	36	HIS	HIS	HIS	HIS	3	L	L	207	215
433	37	ASN	ASN	ARG	ARG	1	A	A	208 - 220	216 - 228
434	37	ASN	ASN	ARG	ARG	1	B	B	208 - 220	216 - 228
435	37	ASN	ASN	ARG	ARG	1	C	C	208 - 220	216 - 228
436	37	ASN	ASN	ARG	ARG	1	D	D	208 - 220	216 - 228
437	37	ASN	ASN	ARG	ARG	1	E	E	208 - 220	216 - 228
438	37	ASN	ASN	ARG	ARG	1	F	F	208 - 220	216 - 228
439	37	ASN	ASN	ARG	ARG	1	G	G	208 - 220	216 - 228
440	37	ASN	ASN	ARG	ARG	1	H	H	208 - 220	216 - 228
441	37	ASN	ASN	ARG	ARG	1	I	I	208 - 220	216 - 228
442	37	ASN	ASN	ARG	ARG	1	J	J	208 - 220	216 - 228
443	37	ASN	ASN	ARG	ARG	1	K	K	208 - 220	216 - 228
444	37	ASN	ASN	ARG	ARG	1	L	L	208 - 220	216 - 228
445	38	ARG	ARG	ARG	ARG	3	A	A	221	229
446	38	ARG	ARG	ARG	ARG	3	B	B	221	229
447	38	ARG	ARG	ARG	ARG	3	C	C	221	229
448	38	ARG	ARG	ARG	ARG	3	D	D	221	229
449	38	ARG	ARG	ARG	ARG	3	E	E	221	229
450	38	ARG	ARG	ARG	ARG	3	F	F	221	229
451	38	ARG	ARG	ARG	ARG	3	G	G	221	229
452	38	ARG	ARG	ARG	ARG	3	H	H	221	229
453	38	ARG	ARG	ARG	ARG	3	I	I	221	229
454	38	ARG	ARG	ARG	ARG	3	J	J	221	229
455	38	ARG	ARG	ARG	ARG	3	K	K	221	229
456	38	ARG	ARG	ARG	ARG	3	L	L	221	229
457	39	VAL	VAL	LEU	LEU	1	A	A	222 - 243	230 - 251
458	39	VAL	VAL	LEU	LEU	1	B	B	222 - 243	230 - 251
459	39	VAL	VAL	LEU	LEU	1	C	C	222 - 243	230 - 251
460	39	VAL	VAL	LEU	LEU	1	D	D	222 - 243	230 - 251
461	39	VAL	VAL	LEU	LEU	1	E	E	222 - 243	230 - 251
462	39	VAL	VAL	LEU	LEU	1	F	F	222 - 243	230 - 251
463	39	VAL	VAL	LEU	LEU	1	G	G	222 - 243	230 - 251
464	39	VAL	VAL	LEU	LEU	1	H	H	222 - 243	230 - 251
465	39	VAL	VAL	LEU	LEU	1	I	I	222 - 243	230 - 251
466	39	VAL	VAL	LEU	LEU	1	J	J	222 - 243	230 - 251
467	39	VAL	VAL	LEU	LEU	1	K	K	222 - 243	230 - 251
468	39	VAL	VAL	LEU	LEU	1	L	L	222 - 243	230 - 251

• Details: The biological assembly is a monomer.

Components

#1: Protein

A B C D E F G H I J K L
Phycocyanobilin:ferredoxin oxidoreductase /

Details:

Mass: 28755.631 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Anabaena sp. (bacteria) / Gene: pcyA / Plasmid: pGEX-6P-1 / Production host: Escherichia coli (E. coli) / Strain (production host): DH5alpha
References: UniProt: Q93TN0, phycocyanobilin:ferredoxin oxidoreductase

#2: Chemical

E-246 ChemComp-CA / CALCIUM ION

Details:

Mass: 40.078 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Ca

#3: Water

ChemComp-HOH / water / Water

Details:

Mass: 18.015 Da / Num. of mol.: 190 / Source method: isolated from a natural source / Formula: H₂O

Experimental details

Experiment

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

Sample preparation

• Crystal: Density Matthews: 1.96 ų/Da / Density % sol: 37.15 %
• Crystal grow: Temperature: 293 K / pH: 6.5 ; Details: 18% PEG-8000, 25mM MES-NaOH, 50mM Calcium acetate, 10% dioxine, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 6.50

Data collection

• Diffraction: Mean temperature: 100 K
• Diffraction source: Source: SYNCHROTRON / Site: SSRL / Beamline: BL9-2 / Wavelength: 0.98
• Detector: Type: ADSC QUANTUM 315 / Detector: CCD / Date: Jun 2, 2005 / Details: DOUBLE CRYSTAL MONOCHROMATOR
• Radiation: Monochromator: DOUBLE CRYSTAL MONOCHROMATOR / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 0.98 Å / Relative weight: 1
• Reflection: Resolution: 2.5→43.94 Å / Num. obs: 91664 / % possible obs: 99.7 % / Observed criterion σ(I): 0 / Redundancy: 3.7 % / R_merge(I) obs: 0.084 / R_sym value: 0.084 / Net I/σ(I): 13.9
• Reflection shell: Resolution: 2.5→2.59 Å / Redundancy: 3.6 % / R_merge(I) obs: 0.383 / Mean I/σ(I) obs: 3.3 / R_sym value: 0.383 / % possible all: 100

Processing

Software

Name	Version	Classification
REFMAC	5.2.0005	refinement
DENZO		data reduction
SCALEPACK		data scaling
PHASER		phasing

Refinement

Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.5→43.94 Å / Cor.coef. F_o:F_c: 0.94 / Cor.coef. F_o:F_c free: 0.913 / SU B: 22.969 / SU ML: 0.248 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R Free: 0.341 / Stereochemistry target values: MAXIMUM LIKELIHOOD

	Rfactor	Num. reflection	% reflection	Selection details
Rfree	0.25716	4583	5 %	RANDOM
Rwork	0.2109	-	-	-
obs	0.21326	86919	99.68 %	-
all	-	91598	-	-

• Solvent computation: Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK

Displacement parameters

B_iso mean: 53.428 Ų

	Baniso -1	Baniso -2	Baniso -3
1-	-0.45 Å2	0 Å2	-0.47 Å2
2-	-	-0.86 Å2	0 Å2
3-	-	-	1.28 Å2

Refine analyze

	Free	Obs
Luzzati coordinate error	0.354 Å	-
Luzzati d res low	-	2.5 Å
Luzzati sigma a	0.265 Å	-

Refinement step

Cycle: LAST / Resolution: 2.5→43.94 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	23422	0	1	190	23613

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.016	0.022	23998
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	1.501	1.961	32566
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	7.144	5	2906
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	38.835	24.316	1228
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	17.998	15	4062
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	21.011	15	168
X-RAY DIFFRACTION	r_chiral_restr	0.098	0.2	3502
X-RAY DIFFRACTION	r_gen_planes_refined	0.006	0.02	18674
X-RAY DIFFRACTION	r_gen_planes_other
X-RAY DIFFRACTION	r_nbd_refined	0.232	0.2	9703
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined	0.314	0.2	16335
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.177	0.2	851
X-RAY DIFFRACTION	r_xyhbond_nbd_other
X-RAY DIFFRACTION	r_metal_ion_refined	0.241	0.2	5
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.3	0.2	299
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.239	0.2	53
X-RAY DIFFRACTION	r_symmetry_hbond_other
X-RAY DIFFRACTION	r_symmetry_metal_ion_refined
X-RAY DIFFRACTION	r_symmetry_metal_ion_other
X-RAY DIFFRACTION	r_mcbond_it	1.476	1.5	14997
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	1.671	2	23648
X-RAY DIFFRACTION	r_scbond_it	2.864	3	10023
X-RAY DIFFRACTION	r_scangle_it	4.598	4.5	8918
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

Refine LS restraints NCS

Ens-ID: 1 / Refine-ID: X-RAY DIFFRACTION

Dom-ID	Auth asym-ID	Number	Type	Rms dev position (Å)	Weight position
1	A	1473	tight positional	0.11	0.05
2	B	1473	tight positional	0.13	0.05
3	C	1473	tight positional	0.08	0.05
4	D	1473	tight positional	0.09	0.05
5	E	1473	tight positional	0.08	0.05
6	F	1473	tight positional	0.13	0.05
7	G	1473	tight positional	0.1	0.05
8	H	1473	tight positional	0.12	0.05
9	I	1473	tight positional	0.11	0.05
10	J	1473	tight positional	0.08	0.05
11	K	1473	tight positional	0.16	0.05
12	L	1473	tight positional	0.06	0.05
1	A	40	medium positional	0.54	0.5
2	B	40	medium positional	0.67	0.5
3	C	40	medium positional	0.23	0.5
4	D	40	medium positional	0.25	0.5
5	E	40	medium positional	0.35	0.5
6	F	40	medium positional	0.32	0.5
7	G	40	medium positional	0.33	0.5
8	H	40	medium positional	0.28	0.5
9	I	40	medium positional	0.38	0.5
10	J	40	medium positional	0.76	0.5
11	K	40	medium positional	0.3	0.5
12	L	40	medium positional	0.4	0.5
1	A	384	loose positional	1.15	5
2	B	384	loose positional	0.87	5
3	C	384	loose positional	0.69	5
4	D	384	loose positional	0.72	5
5	E	384	loose positional	0.92	5
6	F	384	loose positional	0.82	5
7	G	384	loose positional	0.7	5
8	H	384	loose positional	0.89	5
9	I	384	loose positional	1.12	5
10	J	384	loose positional	1	5
11	K	384	loose positional	1.05	5
12	L	384	loose positional	0.77	5
1	A	1473	tight thermal	2.53	20
2	B	1473	tight thermal	2.86	20
3	C	1473	tight thermal	2.38	20
4	D	1473	tight thermal	2.54	20
5	E	1473	tight thermal	2.11	20
6	F	1473	tight thermal	2.24	20
7	G	1473	tight thermal	2.27	20
8	H	1473	tight thermal	2.17	20
9	I	1473	tight thermal	2.45	20
10	J	1473	tight thermal	2.59	20
11	K	1473	tight thermal	3.33	20
12	L	1473	tight thermal	3.11	20
1	A	40	medium thermal	1.83	40
2	B	40	medium thermal	10.61	40
3	C	40	medium thermal	0.79	40
4	D	40	medium thermal	3.17	40
5	E	40	medium thermal	2.23	40
6	F	40	medium thermal	0.97	40
7	G	40	medium thermal	2.41	40
8	H	40	medium thermal	3.69	40
9	I	40	medium thermal	2.81	40
10	J	40	medium thermal	10.98	40
11	K	40	medium thermal	5.85	40
12	L	40	medium thermal	3.74	40
1	A	384	loose thermal	3.73	80
2	B	384	loose thermal	5.37	80
3	C	384	loose thermal	4.02	80
4	D	384	loose thermal	4.3	80
5	E	384	loose thermal	4.82	80
6	F	384	loose thermal	3.5	80
7	G	384	loose thermal	3.7	80
8	H	384	loose thermal	3.75	80
9	I	384	loose thermal	3.6	80
10	J	384	loose thermal	4.91	80
11	K	384	loose thermal	7.37	80
12	L	384	loose thermal	4.36	80

LS refinement shell

Resolution: 2.5→2.565 Å / Total num. of bins used: 20

	Rfactor	Num. reflection	% reflection
Rfree	0.329	353	-
Rwork	0.248	6392	-
obs	-	-	99.76 %

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	2.632	0.842	0.2652	1.0233	0.8229	3.4785	0.105	-0.2725	-0.238	0.393	-0.0727	-0.0018	0.5013	0.0733	-0.0323	-0.0475	0.0488	0.0362	-0.2106	0.0304	-0.3226	6.429	-8.675	38.967
2	3.0265	0.0517	1.5656	2.1437	0.3402	5.7299	0.0964	-0.1961	-0.1424	-0.0204	-0.002	-0.0029	0.5575	-0.3159	-0.0944	-0.1521	-0.095	0.0453	-0.1026	-0.031	-0.3301	-9.706	-8.336	84.159
3	2.797	-0.5958	-0.1432	3.4887	1.0668	1.8604	0.0599	0.0575	-0.0746	0.0252	-0.0958	-0.272	0.1189	0.0677	0.0358	-0.2359	0.0201	0.0248	-0.1831	0.0446	-0.3202	-20.41	-41.469	61.678
4	1.6987	-0.0261	0.091	1.0041	-0.4016	3.0545	-0.0207	0.0414	-0.0014	-0.1407	0.042	0.042	0.0614	0.0485	-0.0212	-0.2844	0.0098	0.014	-0.279	-0.0157	-0.3827	-45.75	-44.755	22.538
5	2.0836	-0.5715	-0.9471	2.6028	0.7606	1.72	0.0626	0.1941	-0.0717	-0.1812	-0.0893	-0.0956	-0.0706	0.0291	0.0267	-0.2577	0.0383	0.0246	-0.1885	-0.0226	-0.371	-56.905	-6.914	1.846
6	2.4362	0.8747	-0.2804	3.1895	-1.1979	1.8119	0.1496	-0.1003	0.0379	0.2885	-0.0686	0.2166	0.0046	-0.0976	-0.081	-0.2096	-0.0185	0.0321	-0.2014	0.0295	-0.39	-59.634	-42.43	59.329
7	2.3451	0.2038	-0.1021	2.3556	-1.3499	3.4085	-0.0163	-0.0703	0.0874	0.1478	0.1102	-0.046	-0.1834	0.1005	-0.0939	-0.2062	0.0603	0.0677	-0.1863	-0.0181	-0.3058	-6.423	25.531	23.228
8	2.2807	-0.0433	-0.2394	1.8311	-0.6812	1.5487	0.0218	-0.0956	0.1639	0.0803	0.0218	0.1449	-0.1435	0.0887	-0.0437	-0.2742	0.0018	0.0555	-0.238	-0.0158	-0.3405	-6.971	-46.378	20.272
9	2.6728	0.0558	-0.3587	1.4788	0.9926	5.4739	-0.1485	-0.0297	0.0451	-0.0427	-0.0162	0.1157	0.2973	0.0286	0.1647	-0.1673	0.0193	0.0389	-0.217	-0.0509	-0.32	-46.358	25.715	24.442
10	2.6335	-0.2935	0.6481	2.3932	1.0074	2.0754	0.004	-0.0831	0.0536	0.0642	0.0459	-0.1559	-0.0955	-0.0172	-0.0499	-0.1108	-0.0091	0.0266	-0.2555	-0.0116	-0.3895	-33.872	-10.593	36.356
11	3.2827	1.2331	-0.9188	3.2301	-0.2518	1.5734	-0.0603	0.0318	-0.1915	0.1591	-0.0512	0.2844	0.0118	-0.1272	0.1115	-0.214	0.0182	0.0425	-0.1211	0.0375	-0.2504	-19.056	-4.073	1.003
12	4.3988	-2.4543	-0.5548	6.0386	-0.5989	2.0763	-0.6053	-0.2459	-0.5542	0.5373	0.354	0.7576	0.2419	0.4347	0.2513	0.0505	0.1262	0.274	-0.1158	0.149	0.1859	-48.409	-9.971	85.851

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	X-RAY DIFFRACTION	1	A	A	1 - 245	9 - 253
2	X-RAY DIFFRACTION	2	B	B	1 - 245	9 - 253
3	X-RAY DIFFRACTION	3	C	C	1 - 245	9 - 253
4	X-RAY DIFFRACTION	4	D	D	1 - 245	9 - 253
5	X-RAY DIFFRACTION	5	E	E	1 - 245	9 - 253
6	X-RAY DIFFRACTION	6	F	F	1 - 245	9 - 253
7	X-RAY DIFFRACTION	7	G	G	1 - 245	9 - 253
8	X-RAY DIFFRACTION	8	H	H	1 - 245	9 - 253
9	X-RAY DIFFRACTION	9	I	I	8 - 245	16 - 253
10	X-RAY DIFFRACTION	10	J	J	8 - 245	16 - 253
11	X-RAY DIFFRACTION	11	K	K	8 - 245	16 - 253
12	X-RAY DIFFRACTION	12	L	L	8 - 245	16 - 253