PDB-5c3y: Structure of human ribokinase crystallized with AMPPNP

Basic information

• Entry: Database: PDB / ID: 5c3y
• Title: Structure of human ribokinase crystallized with AMPPNP
• Components: Ribokinase
• Keywords: TRANSFERASE

Function / homology

Function:

ribokinase / ribokinase activity / Pentose phosphate pathway / D-ribose catabolic process / pentose-phosphate shunt / ATP binding / identical protein binding / metal ion binding / nucleus / cytosol

Domain/homology:

Ribokinase / Ribokinase/fructokinase / pfkB family of carbohydrate kinases signature 2. / Carbohydrate/purine kinase, PfkB, conserved site / Carbohydrate kinase PfkB / pfkB family carbohydrate kinase / Ribokinase / Ribokinase-like / UDP-N-acetylmuramoyl-L-alanine:D-glutamate ligase / 3-Layer(aba) Sandwich / Alpha Beta

Component:

AMP PHOSPHORAMIDATE / Ribokinase

• Biological species: Homo sapiens (human)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.6 Å
• Authors: Park, J. / Chakrabarti, J. / Singh, B. / Gupta, R.S. / Junop, M.S.
• Citation: Journal: To Be Published; Title: Structure of human ribokinase crystallized with AMPPNP; Authors: Park, J. / Chakrabarti, J. / Singh, B. / Gupta, R.S. / Junop, M.S.

History

Deposition	Jun 17, 2015	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jun 15, 2016	Provider: repository / Type: Initial release
Revision 1.1	Apr 26, 2017	Group: Database references / Structure summary
Revision 1.2	Sep 27, 2023	Group: Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_ncs_dom_lim 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.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_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_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

Assembly

Deposited unit

A: Ribokinase

B: Ribokinase

C: Ribokinase

D: Ribokinase

E: Ribokinase

F: Ribokinase

G: Ribokinase

H: Ribokinase

I: Ribokinase

J: Ribokinase

K: Ribokinase

L: Ribokinase

hetero molecules

Summary:

• 429 kDa, 12 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	428,558	48
Polymers	422,892	12
Non-polymers	5,666	36
Water	14,592	810

1

A: Ribokinase

B: Ribokinase

hetero molecules

Summary:

• defined by author&software
• 71.4 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	71,426	8
Polymers	70,482	2
Non-polymers	944	6
Water	36	2

Symmetry operations:

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

Calculated values:

Buried area	2530 Å2
ΔGint	-20 kcal/mol
Surface area	26090 Å2
Method	PISA

2

C: Ribokinase

D: Ribokinase

hetero molecules

Summary:

• defined by author&software
• 71.4 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	71,426	8
Polymers	70,482	2
Non-polymers	944	6
Water	36	2

Symmetry operations:

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

Calculated values:

Buried area	2480 Å2
ΔGint	-20 kcal/mol
Surface area	25830 Å2
Method	PISA

3

E: Ribokinase

F: Ribokinase

hetero molecules

Summary:

• defined by author&software
• 71.4 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	71,426	8
Polymers	70,482	2
Non-polymers	944	6
Water	36	2

Symmetry operations:

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

Calculated values:

Buried area	2490 Å2
ΔGint	-19 kcal/mol
Surface area	25730 Å2
Method	PISA

4

G: Ribokinase

H: Ribokinase

hetero molecules

Summary:

• defined by author&software
• 71.4 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	71,426	8
Polymers	70,482	2
Non-polymers	944	6
Water	36	2

Symmetry operations:

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

Calculated values:

Buried area	2440 Å2
ΔGint	-19 kcal/mol
Surface area	26040 Å2
Method	PISA

5

I: Ribokinase

J: Ribokinase

hetero molecules

Summary:

• defined by author&software
• 71.4 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	71,426	8
Polymers	70,482	2
Non-polymers	944	6
Water	36	2

Symmetry operations:

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

Calculated values:

Buried area	2460 Å2
ΔGint	-19 kcal/mol
Surface area	26050 Å2
Method	PISA

6

K: Ribokinase

L: Ribokinase

hetero molecules

Summary:

• defined by author&software
• 71.4 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	71,426	8
Polymers	70,482	2
Non-polymers	944	6
Water	36	2

Symmetry operations:

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

Calculated values:

Buried area	2460 Å2
ΔGint	-20 kcal/mol
Surface area	25630 Å2
Method	PISA

Unit cell

Length a, b, c (Å)	80.310, 168.140, 161.500
Angle α, β, γ (deg.)	90.00, 90.82, 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
1	2	A
2	2	C
1	3	A
2	3	D
1	4	A
2	4	E
1	5	A
2	5	F
1	6	A
2	6	G
1	7	A
2	7	H
1	8	A
2	8	I
1	9	A
2	9	J
1	10	A
2	10	K
1	11	A
2	11	L
1	12	B
2	12	C
1	13	B
2	13	D
1	14	B
2	14	E
1	15	B
2	15	F
1	16	B
2	16	G
1	17	B
2	17	H
1	18	B
2	18	I
1	19	B
2	19	J
1	20	B
2	20	K
1	21	B
2	21	L
1	22	C
2	22	D
1	23	C
2	23	E
1	24	C
2	24	F
1	25	C
2	25	G
1	26	C
2	26	H
1	27	C
2	27	I
1	28	C
2	28	J
1	29	C
2	29	K
1	30	C
2	30	L
1	31	D
2	31	E
1	32	D
2	32	F
1	33	D
2	33	G
1	34	D
2	34	H
1	35	D
2	35	I
1	36	D
2	36	J
1	37	D
2	37	K
1	38	D
2	38	L
1	39	E
2	39	F
1	40	E
2	40	G
1	41	E
2	41	H
1	42	E
2	42	I
1	43	E
2	43	J
1	44	E
2	44	K
1	45	E
2	45	L
1	46	F
2	46	G
1	47	F
2	47	H
1	48	F
2	48	I
1	49	F
2	49	J
1	50	F
2	50	K
1	51	F
2	51	L
1	52	G
2	52	H
1	53	G
2	53	I
1	54	G
2	54	J
1	55	G
2	55	K
1	56	G
2	56	L
1	57	H
2	57	I
1	58	H
2	58	J
1	59	H
2	59	K
1	60	H
2	60	L
1	61	I
2	61	J
1	62	I
2	62	K
1	63	I
2	63	L
1	64	J
2	64	K
1	65	J
2	65	L
1	66	K
2	66	L

NCS domain segments:

Component-ID: 0 / Refine code: 0

Dom-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	VAL	VAL	LEU	LEU	A	A	15 - 319	15 - 319
2	1	VAL	VAL	LEU	LEU	B	B	15 - 319	15 - 319
1	2	VAL	VAL	LEU	LEU	A	A	15 - 319	15 - 319
2	2	VAL	VAL	LEU	LEU	C	C	15 - 319	15 - 319
1	3	VAL	VAL	LEU	LEU	A	A	15 - 319	15 - 319
2	3	VAL	VAL	LEU	LEU	D	D	15 - 319	15 - 319
1	4	VAL	VAL	LEU	LEU	A	A	15 - 319	15 - 319
2	4	VAL	VAL	LEU	LEU	E	E	15 - 319	15 - 319
1	5	VAL	VAL	LEU	LEU	A	A	15 - 319	15 - 319
2	5	VAL	VAL	LEU	LEU	F	F	15 - 319	15 - 319
1	6	VAL	VAL	LEU	LEU	A	A	15 - 319	15 - 319
2	6	VAL	VAL	LEU	LEU	G	G	15 - 319	15 - 319
1	7	VAL	VAL	LEU	LEU	A	A	15 - 319	15 - 319
2	7	VAL	VAL	LEU	LEU	H	H	15 - 319	15 - 319
1	8	VAL	VAL	LEU	LEU	A	A	15 - 319	15 - 319
2	8	VAL	VAL	LEU	LEU	I	I	15 - 319	15 - 319
1	9	VAL	VAL	LEU	LEU	A	A	15 - 319	15 - 319
2	9	VAL	VAL	LEU	LEU	J	J	15 - 319	15 - 319
1	10	VAL	VAL	LEU	LEU	A	A	15 - 319	15 - 319
2	10	VAL	VAL	LEU	LEU	K	K	15 - 319	15 - 319
1	11	VAL	VAL	LEU	LEU	A	A	15 - 319	15 - 319
2	11	VAL	VAL	LEU	LEU	L	L	15 - 319	15 - 319
1	12	GLU	GLU	HIS	HIS	B	B	14 - 325	14 - 325
2	12	GLU	GLU	HIS	HIS	C	C	14 - 325	14 - 325
1	13	GLU	GLU	LEU	LEU	B	B	14 - 323	14 - 323
2	13	GLU	GLU	LEU	LEU	D	D	14 - 323	14 - 323
1	14	GLU	GLU	LEU	LEU	B	B	14 - 323	14 - 323
2	14	GLU	GLU	LEU	LEU	E	E	14 - 323	14 - 323
1	15	VAL	VAL	HIS	HIS	B	B	15 - 325	15 - 325
2	15	VAL	VAL	HIS	HIS	F	F	15 - 325	15 - 325
1	16	GLU	GLU	HIS	HIS	B	B	14 - 327	14 - 327
2	16	GLU	GLU	HIS	HIS	G	G	14 - 327	14 - 327
1	17	GLU	GLU	LEU	LEU	B	B	14 - 323	14 - 323
2	17	GLU	GLU	LEU	LEU	H	H	14 - 323	14 - 323
1	18	VAL	VAL	HIS	HIS	B	B	15 - 326	15 - 326
2	18	VAL	VAL	HIS	HIS	I	I	15 - 326	15 - 326
1	19	GLU	GLU	HIS	HIS	B	B	14 - 327	14 - 327
2	19	GLU	GLU	HIS	HIS	J	J	14 - 327	14 - 327
1	20	VAL	VAL	HIS	HIS	B	B	15 - 325	15 - 325
2	20	VAL	VAL	HIS	HIS	K	K	15 - 325	15 - 325
1	21	GLU	GLU	LEU	LEU	B	B	14 - 323	14 - 323
2	21	GLU	GLU	LEU	LEU	L	L	14 - 323	14 - 323
1	22	GLU	GLU	LEU	LEU	C	C	14 - 323	14 - 323
2	22	GLU	GLU	LEU	LEU	D	D	14 - 323	14 - 323
1	23	GLU	GLU	LEU	LEU	C	C	14 - 323	14 - 323
2	23	GLU	GLU	LEU	LEU	E	E	14 - 323	14 - 323
1	24	VAL	VAL	HIS	HIS	C	C	15 - 325	15 - 325
2	24	VAL	VAL	HIS	HIS	F	F	15 - 325	15 - 325
1	25	GLU	GLU	HIS	HIS	C	C	14 - 325	14 - 325
2	25	GLU	GLU	HIS	HIS	G	G	14 - 325	14 - 325
1	26	GLU	GLU	LEU	LEU	C	C	14 - 323	14 - 323
2	26	GLU	GLU	LEU	LEU	H	H	14 - 323	14 - 323
1	27	VAL	VAL	HIS	HIS	C	C	15 - 325	15 - 325
2	27	VAL	VAL	HIS	HIS	I	I	15 - 325	15 - 325
1	28	GLU	GLU	HIS	HIS	C	C	14 - 325	14 - 325
2	28	GLU	GLU	HIS	HIS	J	J	14 - 325	14 - 325
1	29	VAL	VAL	HIS	HIS	C	C	15 - 325	15 - 325
2	29	VAL	VAL	HIS	HIS	K	K	15 - 325	15 - 325
1	30	GLU	GLU	LEU	LEU	C	C	14 - 323	14 - 323
2	30	GLU	GLU	LEU	LEU	L	L	14 - 323	14 - 323
1	31	GLU	GLU	GLU	GLU	D	D	14 - 324	14 - 324
2	31	GLU	GLU	GLU	GLU	E	E	14 - 324	14 - 324
1	32	VAL	VAL	LEU	LEU	D	D	15 - 323	15 - 323
2	32	VAL	VAL	LEU	LEU	F	F	15 - 323	15 - 323
1	33	GLU	GLU	LEU	LEU	D	D	14 - 323	14 - 323
2	33	GLU	GLU	LEU	LEU	G	G	14 - 323	14 - 323
1	34	GLU	GLU	GLU	GLU	D	D	14 - 324	14 - 324
2	34	GLU	GLU	GLU	GLU	H	H	14 - 324	14 - 324
1	35	VAL	VAL	LEU	LEU	D	D	15 - 323	15 - 323
2	35	VAL	VAL	LEU	LEU	I	I	15 - 323	15 - 323
1	36	GLU	GLU	LEU	LEU	D	D	14 - 323	14 - 323
2	36	GLU	GLU	LEU	LEU	J	J	14 - 323	14 - 323
1	37	VAL	VAL	LEU	LEU	D	D	15 - 323	15 - 323
2	37	VAL	VAL	LEU	LEU	K	K	15 - 323	15 - 323
1	38	GLU	GLU	GLU	GLU	D	D	14 - 324	14 - 324
2	38	GLU	GLU	GLU	GLU	L	L	14 - 324	14 - 324
1	39	VAL	VAL	LEU	LEU	E	E	15 - 323	15 - 323
2	39	VAL	VAL	LEU	LEU	F	F	15 - 323	15 - 323
1	40	GLU	GLU	LEU	LEU	E	E	14 - 323	14 - 323
2	40	GLU	GLU	LEU	LEU	G	G	14 - 323	14 - 323
1	41	GLU	GLU	GLU	GLU	E	E	14 - 324	14 - 324
2	41	GLU	GLU	GLU	GLU	H	H	14 - 324	14 - 324
1	42	VAL	VAL	LEU	LEU	E	E	15 - 323	15 - 323
2	42	VAL	VAL	LEU	LEU	I	I	15 - 323	15 - 323
1	43	GLU	GLU	LEU	LEU	E	E	14 - 323	14 - 323
2	43	GLU	GLU	LEU	LEU	J	J	14 - 323	14 - 323
1	44	VAL	VAL	LEU	LEU	E	E	15 - 323	15 - 323
2	44	VAL	VAL	LEU	LEU	K	K	15 - 323	15 - 323
1	45	GLU	GLU	GLU	GLU	E	E	14 - 324	14 - 324
2	45	GLU	GLU	GLU	GLU	L	L	14 - 324	14 - 324
1	46	VAL	VAL	HIS	HIS	F	F	15 - 325	15 - 325
2	46	VAL	VAL	HIS	HIS	G	G	15 - 325	15 - 325
1	47	VAL	VAL	LEU	LEU	F	F	15 - 323	15 - 323
2	47	VAL	VAL	LEU	LEU	H	H	15 - 323	15 - 323
1	48	VAL	VAL	HIS	HIS	F	F	15 - 325	15 - 325
2	48	VAL	VAL	HIS	HIS	I	I	15 - 325	15 - 325
1	49	VAL	VAL	HIS	HIS	F	F	15 - 325	15 - 325
2	49	VAL	VAL	HIS	HIS	J	J	15 - 325	15 - 325
1	50	VAL	VAL	HIS	HIS	F	F	15 - 326	15 - 326
2	50	VAL	VAL	HIS	HIS	K	K	15 - 326	15 - 326
1	51	VAL	VAL	LEU	LEU	F	F	15 - 323	15 - 323
2	51	VAL	VAL	LEU	LEU	L	L	15 - 323	15 - 323
1	52	GLU	GLU	LEU	LEU	G	G	14 - 323	14 - 323
2	52	GLU	GLU	LEU	LEU	H	H	14 - 323	14 - 323
1	53	VAL	VAL	HIS	HIS	G	G	15 - 326	15 - 326
2	53	VAL	VAL	HIS	HIS	I	I	15 - 326	15 - 326
1	54	GLU	GLU	HIS	HIS	G	G	14 - 327	14 - 327
2	54	GLU	GLU	HIS	HIS	J	J	14 - 327	14 - 327
1	55	VAL	VAL	HIS	HIS	G	G	15 - 325	15 - 325
2	55	VAL	VAL	HIS	HIS	K	K	15 - 325	15 - 325
1	56	GLU	GLU	LEU	LEU	G	G	14 - 323	14 - 323
2	56	GLU	GLU	LEU	LEU	L	L	14 - 323	14 - 323
1	57	VAL	VAL	LEU	LEU	H	H	15 - 323	15 - 323
2	57	VAL	VAL	LEU	LEU	I	I	15 - 323	15 - 323
1	58	GLU	GLU	LEU	LEU	H	H	14 - 323	14 - 323
2	58	GLU	GLU	LEU	LEU	J	J	14 - 323	14 - 323
1	59	VAL	VAL	LEU	LEU	H	H	15 - 323	15 - 323
2	59	VAL	VAL	LEU	LEU	K	K	15 - 323	15 - 323
1	60	GLU	GLU	GLU	GLU	H	H	14 - 324	14 - 324
2	60	GLU	GLU	GLU	GLU	L	L	14 - 324	14 - 324
1	61	VAL	VAL	HIS	HIS	I	I	15 - 326	15 - 326
2	61	VAL	VAL	HIS	HIS	J	J	15 - 326	15 - 326
1	62	VAL	VAL	HIS	HIS	I	I	15 - 325	15 - 325
2	62	VAL	VAL	HIS	HIS	K	K	15 - 325	15 - 325
1	63	VAL	VAL	LEU	LEU	I	I	15 - 323	15 - 323
2	63	VAL	VAL	LEU	LEU	L	L	15 - 323	15 - 323
1	64	VAL	VAL	HIS	HIS	J	J	15 - 325	15 - 325
2	64	VAL	VAL	HIS	HIS	K	K	15 - 325	15 - 325
1	65	GLU	GLU	LEU	LEU	J	J	14 - 323	14 - 323
2	65	GLU	GLU	LEU	LEU	L	L	14 - 323	14 - 323
1	66	VAL	VAL	LEU	LEU	K	K	15 - 323	15 - 323
2	66	VAL	VAL	LEU	LEU	L	L	15 - 323	15 - 323

NCS ensembles :

ID
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66

Components

#1: Protein

A B C D E F G H I J K L
Ribokinase /

Details:

Mass: 35241.008 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: RBKS, RBSK / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q9H477, ribokinase

#2: Chemical

A-401 B-401 C-401 D-401 E-401 F-401 G-401 H-401 I-401 J-401 K-401 L-401
ChemComp-AN2 / AMP PHOSPHORAMIDATE

Details:

Mass: 426.216 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C₁₀H₁₆N₆O₉P₂

#3: Chemical

A-402 A-403 B-402 B-403 C-402 C-403 D-402 D-403 E-402 E-403 F-402 F-403 G-402 G-403 H-402 H-403 I-402 I-403 J-402 J-403 ...
ChemComp-NA / SODIUM ION

Details:

Mass: 22.990 Da / Num. of mol.: 24 / Source method: obtained synthetically / Formula: Na

#4: Water

ChemComp-HOH / water / Water

Details:

Mass: 18.015 Da / Num. of mol.: 810 / 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: 2.58 ų/Da / Density % sol: 52.29 %
• Crystal grow: Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 7.4 / Details: 0.1M sodium HEPES, 7% PEG 8000

Data collection

• Diffraction: Mean temperature: 100 K
• Diffraction source: Source: SYNCHROTRON / Site: NSLS / Beamline: X12C / Wavelength: 1.1 Å
• Detector: Type: ADSC QUANTUM 210 / Detector: CCD / Date: Jan 30, 2010
• Radiation: Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 1.1 Å / Relative weight: 1
• Reflection: Resolution: 2.6→51.26 Å / Num. obs: 130659 / % possible obs: 99.7 % / Redundancy: 3.8 % / B_iso Wilson estimate: 21.521 Ų / R_merge(I) obs: 0.135 / Net I/σ(I): 9
• Reflection shell: Resolution: 2.6→2.67 Å / Redundancy: 3.8 % / R_merge(I) obs: 0.703 / Mean I/σ(I) obs: 2 / % possible all: 97.3

Processing

Software

Name	Version	Classification
REFMAC	5.8.0123	refinement
XDS		data reduction
XSCALE		data scaling
PHASER		phasing

Refinement

Method to determine structure: MOLECULAR REPLACEMENT
Starting model: 2FV7

2fv7

Resolution: 2.6→51.26 Å / Cor.coef. F_o:F_c: 0.927 / Cor.coef. F_o:F_c free: 0.904 / SU B: 24.881 / SU ML: 0.259 / Cross valid method: THROUGHOUT / ESU R: 0.939 / ESU R Free: 0.295 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	Rfactor	Num. reflection	% reflection	Selection details
Rfree	0.23205	6493	5 %	RANDOM
Rwork	0.2047	-	-	-
obs	0.20609	124139	99.66 %	-

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

Displacement parameters

B_iso mean: 39.583 Ų

	Baniso -1	Baniso -2	Baniso -3
1-	-2.05 Å2	0 Å2	0.21 Å2
2-	-	0.58 Å2	0 Å2
3-	-	-	1.47 Å2

Refinement step

Cycle: LAST / Resolution: 2.6→51.26 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	27417	0	348	810	28575

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.018	0.019	28250
X-RAY DIFFRACTION	r_bond_other_d	0.015	0.02	26927
X-RAY DIFFRACTION	r_angle_refined_deg	1.903	1.982	38549
X-RAY DIFFRACTION	r_angle_other_deg	2.117	3	61873
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.081	5	3748
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	38.029	25.668	1041
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	15.833	15	4471
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	19.387	15	82
X-RAY DIFFRACTION	r_chiral_restr	0.104	0.2	4722
X-RAY DIFFRACTION	r_gen_planes_refined	0.013	0.02	32327
X-RAY DIFFRACTION	r_gen_planes_other	0.011	0.02	5955
X-RAY DIFFRACTION	r_nbd_refined
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined
X-RAY DIFFRACTION	r_xyhbond_nbd_other
X-RAY DIFFRACTION	r_metal_ion_refined
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined
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	0.582	1.19	15001
X-RAY DIFFRACTION	r_mcbond_other	0.582	1.19	15000
X-RAY DIFFRACTION	r_mcangle_it	1.022	1.784	18746
X-RAY DIFFRACTION	r_mcangle_other	1.022	1.784	18747
X-RAY DIFFRACTION	r_scbond_it	0.907	1.323	13249
X-RAY DIFFRACTION	r_scbond_other	0.907	1.323	13250
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	1.419	1.96	19804
X-RAY DIFFRACTION	r_long_range_B_refined	3.806	9.991	30082
X-RAY DIFFRACTION	r_long_range_B_other	3.806	9.992	30083
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION / Type: interatomic distance / Weight position: 0.05

Ens-ID	Dom-ID	Auth asym-ID	Number	Rms dev position (Å)
1	1	A	34986	0.06
1	2	B	34986	0.06
2	1	A	35180	0.06
2	2	C	35180	0.06
3	1	A	35046	0.07
3	2	D	35046	0.07
4	1	A	35080	0.06
4	2	E	35080	0.06
5	1	A	35182	0.07
5	2	F	35182	0.07
6	1	A	35108	0.06
6	2	G	35108	0.06
7	1	A	35264	0.06
7	2	H	35264	0.06
8	1	A	35008	0.06
8	2	I	35008	0.06
9	1	A	35294	0.05
9	2	J	35294	0.05
10	1	A	34902	0.06
10	2	K	34902	0.06
11	1	A	34836	0.06
11	2	L	34836	0.06
12	1	B	36324	0.07
12	2	C	36324	0.07
13	1	B	35600	0.07
13	2	D	35600	0.07
14	1	B	35472	0.07
14	2	E	35472	0.07
15	1	B	35856	0.07
15	2	F	35856	0.07
16	1	B	35756	0.07
16	2	G	35756	0.07
17	1	B	35840	0.06
17	2	H	35840	0.06
18	1	B	36464	0.06
18	2	I	36464	0.06
19	1	B	35940	0.06
19	2	J	35940	0.06
20	1	B	35910	0.06
20	2	K	35910	0.06
21	1	B	35552	0.06
21	2	L	35552	0.06
22	1	C	35648	0.08
22	2	D	35648	0.08
23	1	C	35802	0.07
23	2	E	35802	0.07
24	1	C	36018	0.07
24	2	F	36018	0.07
25	1	C	35928	0.08
25	2	G	35928	0.08
26	1	C	35934	0.07
26	2	H	35934	0.07
27	1	C	36354	0.06
27	2	I	36354	0.06
28	1	C	36104	0.06
28	2	J	36104	0.06
29	1	C	36140	0.07
29	2	K	36140	0.07
30	1	C	35802	0.07
30	2	L	35802	0.07
31	1	D	35546	0.08
31	2	E	35546	0.08
32	1	D	36016	0.07
32	2	F	36016	0.07
33	1	D	35372	0.08
33	2	G	35372	0.08
34	1	D	35942	0.07
34	2	H	35942	0.07
35	1	D	35866	0.06
35	2	I	35866	0.06
36	1	D	35904	0.06
36	2	J	35904	0.06
37	1	D	35774	0.06
37	2	K	35774	0.06
38	1	D	35858	0.06
38	2	L	35858	0.06
39	1	E	35528	0.08
39	2	F	35528	0.08
40	1	E	35710	0.07
40	2	G	35710	0.07
41	1	E	36188	0.06
41	2	H	36188	0.06
42	1	E	35408	0.07
42	2	I	35408	0.07
43	1	E	35902	0.06
43	2	J	35902	0.06
44	1	E	35438	0.07
44	2	K	35438	0.07
45	1	E	35518	0.07
45	2	L	35518	0.07
46	1	F	35624	0.08
46	2	G	35624	0.08
47	1	F	35732	0.07
47	2	H	35732	0.07
48	1	F	36024	0.07
48	2	I	36024	0.07
49	1	F	35776	0.07
49	2	J	35776	0.07
50	1	F	35912	0.07
50	2	K	35912	0.07
51	1	F	35548	0.07
51	2	L	35548	0.07
52	1	G	35572	0.07
52	2	H	35572	0.07
53	1	G	35420	0.08
53	2	I	35420	0.08
54	1	G	35614	0.07
54	2	J	35614	0.07
55	1	G	35512	0.07
55	2	K	35512	0.07
56	1	G	35152	0.08
56	2	L	35152	0.08
57	1	H	35698	0.06
57	2	I	35698	0.06
58	1	H	36080	0.06
58	2	J	36080	0.06
59	1	H	35520	0.06
59	2	K	35520	0.06
60	1	H	35532	0.07
60	2	L	35532	0.07
61	1	I	35790	0.06
61	2	J	35790	0.06
62	1	I	36204	0.06
62	2	K	36204	0.06
63	1	I	35778	0.06
63	2	L	35778	0.06
64	1	J	35710	0.06
64	2	K	35710	0.06
65	1	J	35688	0.06
65	2	L	35688	0.06
66	1	K	35982	0.06
66	2	L	35982	0.06

LS refinement shell

Resolution: 2.602→2.67 Å / Total num. of bins used: 20

	Rfactor	Num. reflection	% reflection
Rfree	0.328	512	-
Rwork	0.321	8916	-
obs	-	-	97.32 %

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	4.3181	1.5924	1.2863	2.1061	-0.0557	2.5347	-0.2483	0.0665	0.3607	-0.0429	0.0404	0.0454	-0.3115	0.2321	0.2079	0.1421	0.0178	-0.047	0.0742	0.0603	0.218	76.0153	46.8562	-17.5474
2	3.4771	2.0215	-0.2183	12.9684	8.6851	13.9858	-0.1039	0.0348	-0.3195	-0.2451	-0.1166	-0.0976	0.0052	0.4369	0.2205	0.3727	-0.0424	-0.0811	0.5638	0.121	0.2732	82.6478	56.1622	-33.8103
3	3.3767	-1.0583	-2.2193	3.383	0.9673	7.7343	-0.0974	1.5246	-0.0903	-1.1494	0.112	-0.4598	-0.2966	1.1994	-0.0145	0.5018	-0.4079	0.0836	1.6142	0.0147	0.4343	92.5188	48.1973	-34.1984
4	6.2861	0.7529	0.9553	2.9069	0.0662	4.3368	-0.1463	1.1422	-0.1773	-0.1624	0.2233	-0.3234	-0.0316	0.9809	-0.077	0.1043	-0.0303	-0.05	0.5382	-0.0207	0.2987	95.4526	42.6281	-18.6591
5	3.245	3.0452	-1.3346	3.9271	-2.6534	2.3968	-0.0178	0.0971	0.1302	-0.1484	0.0244	0.1223	0.1604	0.0933	-0.0066	0.1631	0.0453	-0.0451	0.0896	0.0453	0.2626	58.4313	34.3927	-21.3695
6	3.1302	0.3925	-0.0516	2.0824	-0.0956	1.3621	-0.0784	-0.2467	-0.0465	0.1369	0.0431	-0.0294	0.2191	-0.0543	0.0353	0.1154	0.023	-0.0086	0.0483	0.0559	0.2016	52.1162	25.3414	-9.421
7	2.4757	-0.0738	0.1949	4.4423	-0.1819	2.3396	-0.0053	0.3489	-0.3279	-0.517	0.0503	0.3835	0.3583	-0.4135	-0.045	0.1918	-0.0749	-0.0445	0.2435	0.0412	0.2852	37.6901	21.7993	-21.2262
8	6.2653	-2.3533	4.2789	6.1129	2.656	6.4049	0.1523	-0.7391	-0.4242	0.2499	-0.3701	0.823	0.4243	-0.9372	0.2178	0.1723	0.0738	-0.0123	0.6807	0.0428	0.5004	22.385	32.2257	-11.9896
9	4.7223	2.0658	0.4137	2.7612	0.2758	0.0626	0.006	0.0271	-0.3503	-0.1751	0.0259	-0.0687	0.0141	-0.0322	-0.0319	0.1681	-0.0226	-0.0277	0.0615	0.0297	0.2824	-14.8882	-9.7275	-8.0522
10	3.6816	0.9864	-0.4827	2.9135	-0.1726	1.819	-0.1429	0.3806	0.2087	-0.358	0.0842	0.0754	-0.1109	-0.0239	0.0587	0.2211	0.0124	-0.0445	0.047	0.0454	0.2842	-5.7322	6.17	-14.0985
11	1.7286	1.9316	0.4732	6.509	-0.0154	0.5575	-0.0526	0.2902	-0.1091	-0.3482	0.1811	-0.3534	0.0623	0.2546	-0.1285	0.3032	0.0085	0.021	0.3249	-0.0443	0.3006	8.5046	-0.9407	-22.3569
12	3.8326	0.3216	1.0991	2.6448	0.4383	3.5749	0.0032	0.3768	-0.6485	-0.2816	0.1362	-0.4564	0.2156	0.2465	-0.1394	0.1616	0.0184	-0.0372	0.0496	-0.096	0.4285	6.148	-10.0524	-10.6007
13	3.6276	3.3277	0.0594	6.3016	-0.1095	0.0358	0.0254	0.2704	0.2349	-0.558	-0.0171	0.2964	-0.0046	0.0762	-0.0083	0.2695	0.0018	-0.0794	0.1777	-0.0432	0.306	-31.5402	-14.8896	-14.395
14	3.6805	1.9592	0.0063	3.5985	0.3555	1.339	0.0839	-0.1788	-0.2061	-0.0373	-0.0741	-0.1656	0.0331	0.0903	-0.0098	0.1084	0.0144	-0.0861	0.0175	-0.0099	0.2883	-35.4273	-26.2175	-6.7414
15	3.1042	0.7644	0.2638	3.3122	0.8585	2.995	0.1153	0.5323	-0.0304	-0.5925	-0.065	0.4501	-0.0909	-0.3145	-0.0502	0.1762	0.0571	-0.125	0.1397	-0.0348	0.376	-52.88	-27.7459	-17.2104
16	6.1717	0.989	0.0692	3.6042	-1.3338	3.2419	0.1787	-0.2572	0.3362	0.3282	-0.0868	0.3563	-0.3321	-0.4273	-0.092	0.1754	0.034	0.0094	0.0859	-0.0501	0.4292	-54.9805	-17.1859	-3.5206
17	3.629	-0.0347	2.7379	0.1261	0.6789	6.0667	0.1032	-0.4904	-0.0268	-0.1533	0.025	-0.0295	-0.7322	-0.1958	-0.1283	0.2408	-0.0331	0.0282	0.1057	0.0847	0.2547	28.1484	16.0993	21.7841
18	1.8206	-0.9084	0.2887	7.3669	-0.4835	2.3873	0.0416	-0.2996	0.1967	0.2185	-0.0136	0.2217	-0.1193	0.0029	-0.0279	0.2838	0.0193	-0.019	0.2324	-0.0333	0.2654	38.8913	30.6585	33.2701
19	3.56	1.0778	2.0234	1.1179	-0.336	2.3194	0.0336	0.0956	-0.1295	-0.1395	-0.0158	-0.0913	0.1368	0.1117	-0.0178	0.141	0.0121	0.0538	0.0087	0.0229	0.1794	27.1816	12.3917	14.1278
20	2.5425	-0.054	1.9199	2.7188	-0.6992	4.547	-0.1363	-0.3717	0.3635	0.0342	0.0073	0.2442	-0.4633	-0.4833	0.129	0.124	0.0425	0.0053	0.0685	-0.0511	0.2318	9.8442	19.5194	16.9165
21	3.8757	-0.585	0.6903	1.0982	-0.23	1.9411	-0.1077	-0.3194	-0.2748	-0.0172	0.1265	0.0553	-0.0073	0.0908	-0.0188	0.1624	-0.0469	0.0228	0.0754	0.0154	0.2724	48.5598	18.849	32.102
22	3.8758	-1.3931	-0.2461	6.322	-3.2025	2.3134	-0.0941	-0.8362	-0.1407	0.4595	0.1268	-0.0782	0.1688	-0.0047	-0.0327	0.4647	0.0055	-0.0825	0.701	-0.0296	0.3065	58.1004	16.4531	50.4684
23	3.7606	-0.1828	0.2796	4.3056	1.3029	3.8469	0.0591	-0.5164	1.1354	0.0926	0.0942	-0.368	-0.5869	0.4727	-0.1533	0.2687	-0.0849	0.1221	0.4503	-0.2073	0.6623	67.3862	30.4154	40.7063
24	8.3417	-0.7685	-0.0844	1.554	0.3901	0.5756	0.1262	0.1679	-0.0626	-0.0771	-0.0105	-0.0504	-0.0997	0.1163	-0.1157	0.3113	-0.018	0.0555	0.2922	-0.0143	0.2139	71.0577	18.0488	27.8244
25	3.4171	-0.3378	-2.5131	0.4018	-0.4084	3.0708	-0.0917	-0.2326	-0.0134	-0.0398	0.17	0.1121	0.1275	-0.0734	-0.0782	0.2109	0.0096	-0.0585	0.1064	0.0166	0.2656	4.6255	-20.5065	54.0284
26	4.031	0.3355	-0.0659	1.6079	-0.4022	2.683	-0.017	0.1233	0.4117	-0.0451	0.0612	0.2142	-0.0806	-0.2535	-0.0442	0.1284	0.0408	-0.0256	0.0634	-0.0618	0.2744	8.6272	-12.8944	44.6598
27	3.0588	0.2767	0.4254	3.0904	0.6075	2.5362	0.0921	0.0812	-0.2875	0.0974	0.0372	-0.1597	0.2984	0.2313	-0.1293	0.0875	0.0141	-0.0347	0.0549	-0.0184	0.176	24.5031	-23.781	41.9553
28	9.2232	-1.5387	3.3648	6.3102	0.2722	4.0927	-0.1559	-0.1552	-0.0991	-0.268	-0.0576	-0.1689	0.2502	0.3152	0.2136	0.2674	-0.0132	-0.0684	0.185	-0.0424	0.2401	37.6562	-9.9612	51.1478
29	3.4841	0.3606	-1.9634	0.041	-0.2284	6.4597	-0.1757	0.6004	0.0337	0.0047	0.0419	-0.0105	0.5778	0.1191	0.1338	0.2366	-0.0649	-0.0236	0.1999	0.1158	0.2722	-12.9944	-11.928	59.0939
30	4.477	0.583	0.6347	11.9384	-2.5733	1.1681	-0.1492	0.5381	-0.4881	-0.3257	0.2795	0.0478	0.4168	-0.2663	-0.1303	0.4331	-0.1108	0.024	0.4189	-0.0846	0.2359	-2.3274	-26.8426	47.9041
31	4.52	-1.2501	-0.9207	1.9848	-0.865	1.9515	-0.0134	0.0491	0.3019	0.1154	-0.071	-0.2592	-0.1409	0.219	0.0845	0.1057	-0.0509	-0.061	0.0549	0.0553	0.2083	-12.5871	-7.9615	65.757
32	2.6227	-0.1953	-0.2162	2.1554	-0.2982	3.9473	-0.0172	0.0882	-0.2897	0.0657	-0.1026	0.1331	0.3289	-0.244	0.1198	0.0767	-0.0207	0.0103	0.025	-0.0101	0.2076	-30.6666	-14.8762	65.1662
33	8.0153	-5.8848	4.3871	4.9187	-3.2483	3.1167	-0.3487	-1.1255	-0.9663	0.59	0.742	0.4977	-0.1905	-0.1095	-0.3933	0.2987	0.0366	0.0856	0.6431	0.3684	0.5226	17.4318	-29.3102	102.5792
34	5.5356	-0.4911	-0.2911	3.96	-0.0757	1.7415	-0.1971	-0.1861	-0.0798	-0.0565	0.0582	-0.1669	-0.1667	0.1671	0.1389	0.1217	-0.0422	0.0172	0.1728	0.1454	0.222	10.1514	-19.0847	91.168
35	3.1358	1.3038	-0.1806	4.1664	-0.1624	1.9634	-0.0536	-0.6891	0.3146	0.7104	0.0873	0.5951	-0.3087	-0.2456	-0.0337	0.2747	0.101	0.094	0.3819	0.129	0.4046	-4.4196	-17.9691	103.0968
36	13.6944	-0.1372	-9.3542	1.7258	1.6341	7.7723	-0.4279	0.4671	-0.3472	-0.4367	-0.2056	0.4496	-0.1455	-0.4824	0.6335	0.3957	-0.0291	-0.0841	0.4225	0.072	0.5083	-20.3887	-25.2598	92.0535
37	4.6827	-1.6411	0.7527	2.4553	-1.5629	1.0754	-0.0981	-0.0696	-0.2848	0.0035	0.1714	0.1378	0.0826	-0.227	-0.0732	0.1659	-0.1006	0.0309	0.3865	0.2133	0.3722	32.8543	-37.5772	96.3251
38	4.5932	-0.6949	0.5126	1.3784	-1.4132	3.386	-0.1768	-0.2259	-0.5067	0.1131	0.2718	0.1604	0.5537	-0.2887	-0.0949	0.2817	-0.0637	0.0424	0.311	0.2199	0.4544	39.4383	-49.2542	104.3457
39	2.7536	-0.2891	1.0186	4.3057	-2.196	5.0421	-0.0256	-0.4713	0.173	0.3827	-0.0337	-0.4139	-0.1787	0.3042	0.0593	0.1706	-0.0006	0.0375	0.3395	0.068	0.3704	53.7063	-39.8533	110.6007
40	4.4022	1.3836	-0.3109	4.0021	-0.7073	5.7489	0.0357	0.3438	0.1217	-0.3728	-0.0678	-0.5389	0.189	0.5454	0.0321	0.1395	0.0128	0.0965	0.2578	0.0899	0.34	55.0447	-37.1012	92.9
41	5.5809	-3.3663	-0.9724	3.4359	0.7453	0.2065	-0.3695	-0.6066	0.6397	0.7304	0.4427	-0.2569	0.1417	0.0536	-0.0733	0.3748	0.0668	-0.0218	0.2861	-0.1239	0.3943	21.232	16.9958	95.6993
42	4.0303	-1.5377	-0.1995	3.7024	-0.1915	0.8486	-0.1246	-0.1315	0.1123	0.1628	0.1097	-0.0381	0.1311	-0.1074	0.0149	0.1251	-0.0427	0.0148	0.0929	-0.0413	0.2581	27.8649	5.9892	87.4064
43	2.9886	-0.13	-0.3494	3.7378	-0.7527	1.7279	-0.1795	-0.9163	0.3891	0.787	0.1379	-0.6233	-0.1438	0.2228	0.0416	0.2776	0.0661	-0.096	0.3062	-0.1533	0.4464	43.3424	7.2981	98.3071
44	5.4286	-1.4773	3.4569	0.9592	0.5278	6.0836	0.2153	0.5025	0.2041	-0.1442	-0.2275	-0.1218	-0.0889	0.1125	0.0122	0.3218	-0.0782	0.0772	0.2752	-0.0032	0.5889	55.9718	15.1347	85.1658
45	4.6598	-3.0638	0.3585	4.5973	0.0931	0.786	-0.0451	-0.0757	0.0204	0.2595	-0.0705	-0.0132	0.0595	0.2417	0.1156	0.141	-0.0241	0.0963	0.1317	-0.0488	0.3147	4.3942	23.0321	88.963
46	3.4495	-2.3	-0.0154	3.3468	1.0549	1.6954	0.0057	0.0149	0.3439	0.1105	0.0061	-0.2405	-0.0998	0.0742	-0.0118	0.1069	-0.0384	0.0793	0.1196	-0.0462	0.3878	4.2333	32.5864	87.9097
47	4.6139	-0.8099	-0.9855	4.1508	0.4205	4.5062	-0.0465	-0.5534	0.0935	0.8073	-0.1207	0.5122	0.1459	-0.2817	0.1673	0.3595	-0.019	0.1756	0.1844	-0.1288	0.4436	-14.0424	35.3662	99.8057
48	3.7562	-0.7287	-0.2555	6.1906	0.1759	3.6198	0.0029	0.0259	-0.4728	0.0624	-0.2011	0.8232	0.3323	-0.4488	0.1982	0.1241	-0.059	0.0925	0.154	-0.1286	0.4957	-15.293	22.3642	85.7966

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	15 - 181
2	X-RAY DIFFRACTION	2	A	182 - 189
3	X-RAY DIFFRACTION	3	A	190 - 226
4	X-RAY DIFFRACTION	4	A	227 - 320
5	X-RAY DIFFRACTION	5	B	14 - 50
6	X-RAY DIFFRACTION	6	B	51 - 168
7	X-RAY DIFFRACTION	7	B	169 - 319
8	X-RAY DIFFRACTION	8	B	320 - 327
9	X-RAY DIFFRACTION	9	C	14 - 116
10	X-RAY DIFFRACTION	10	C	117 - 229
11	X-RAY DIFFRACTION	11	C	230 - 259
12	X-RAY DIFFRACTION	12	C	260 - 326
13	X-RAY DIFFRACTION	13	D	14 - 45
14	X-RAY DIFFRACTION	14	D	46 - 167
15	X-RAY DIFFRACTION	15	D	168 - 282
16	X-RAY DIFFRACTION	16	D	283 - 324
17	X-RAY DIFFRACTION	17	E	14 - 34
18	X-RAY DIFFRACTION	18	E	35 - 48
19	X-RAY DIFFRACTION	19	E	49 - 180
20	X-RAY DIFFRACTION	20	E	181 - 324
21	X-RAY DIFFRACTION	21	F	15 - 133
22	X-RAY DIFFRACTION	22	F	134 - 171
23	X-RAY DIFFRACTION	23	F	172 - 289
24	X-RAY DIFFRACTION	24	F	290 - 326
25	X-RAY DIFFRACTION	25	G	14 - 47
26	X-RAY DIFFRACTION	26	G	48 - 137
27	X-RAY DIFFRACTION	27	G	138 - 314
28	X-RAY DIFFRACTION	28	G	315 - 327
29	X-RAY DIFFRACTION	29	H	14 - 34
30	X-RAY DIFFRACTION	30	H	35 - 48
31	X-RAY DIFFRACTION	31	H	49 - 167
32	X-RAY DIFFRACTION	32	H	168 - 324
33	X-RAY DIFFRACTION	33	I	15 - 50
34	X-RAY DIFFRACTION	34	I	51 - 186
35	X-RAY DIFFRACTION	35	I	187 - 321
36	X-RAY DIFFRACTION	36	I	322 - 327
37	X-RAY DIFFRACTION	37	J	14 - 114
38	X-RAY DIFFRACTION	38	J	115 - 189
39	X-RAY DIFFRACTION	39	J	190 - 276
40	X-RAY DIFFRACTION	40	J	277 - 327
41	X-RAY DIFFRACTION	41	K	15 - 45
42	X-RAY DIFFRACTION	42	K	46 - 188
43	X-RAY DIFFRACTION	43	K	189 - 318
44	X-RAY DIFFRACTION	44	K	319 - 326
45	X-RAY DIFFRACTION	45	L	14 - 78
46	X-RAY DIFFRACTION	46	L	79 - 167
47	X-RAY DIFFRACTION	47	L	168 - 252
48	X-RAY DIFFRACTION	48	L	253 - 324