PDB-9e6o: Structure of a Mouse KC Filament

Basic information

• Entry: Database: PDB / ID: 9e6o
• Title: Structure of a Mouse KC Filament
• Components: Growth-regulated alpha protein
• Keywords: CYTOKINE / CHEMOKINE(GROWTH FACTOR)

Function / homology

Function:

Chemokine receptors bind chemokines / positive regulation of hematopoietic stem cell proliferation / positive regulation of neutrophil mediated killing of fungus / cellular response to interleukin-17 / G alpha (i) signalling events / chemokine activity / positive regulation of superoxide anion generation / Neutrophil degranulation / growth factor activity / immune response / inflammatory response / extracellular space

Domain/homology:

CXC chemokine / CXC chemokine, conserved site / Small cytokines (intercrine/chemokine) C-x-C subfamily signature. / CXC Chemokine domain / Chemokine beta/gamma/delta / Intercrine alpha family (small cytokine C-X-C) (chemokine CXC). / Chemokine interleukin-8-like domain / Chemokine interleukin-8-like superfamily / Small cytokines (intecrine/chemokine), interleukin-8 like

Component:

NITRATE ION / Growth-regulated alpha protein

• Biological species: Mus musculus (house mouse)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.6 Å
• Authors: White, M.A. / Sepuru, K.M. / Rajarathnam, K.

Funding support

United States, 1items

Organization	Grant number	Country
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)	AI160613	United States

• Citation: Journal: To Be Published; Title: Structure of a Mouse KC dimeric mutant; Authors: White, M.A. / Sepuru, K.M. / Rajarathnam, K.

History

Deposition	Oct 30, 2024	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Nov 12, 2025	Provider: repository / Type: Initial release

Assembly

Deposited unit

B: Growth-regulated alpha protein

A: Growth-regulated alpha protein

C: Growth-regulated alpha protein

D: Growth-regulated alpha protein

E: Growth-regulated alpha protein

F: Growth-regulated alpha protein

G: Growth-regulated alpha protein

H: Growth-regulated alpha protein

I: Growth-regulated alpha protein

J: Growth-regulated alpha protein

K: Growth-regulated alpha protein

L: Growth-regulated alpha protein

M: Growth-regulated alpha protein

N: Growth-regulated alpha protein

hetero molecules

Summary:

• 111 kDa, 14 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	110,623	24
Polymers	110,003	14
Non-polymers	620	10
Water	0	0

1

Summary:

• Idetical with deposited unit
• defined by author

Symmetry operations:

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

Unit cell

Length a, b, c (Å)	92.092, 42.065, 165.794
Angle α, β, γ (deg.)	90.000, 90.050, 90.000
Int Tables number	4
Space group name H-M	P1211

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	B
2	1	A
1	2	B
2	2	C
1	3	B
2	3	D
1	4	B
2	4	E
1	5	B
2	5	F
1	6	B
2	6	G
1	7	B
2	7	H
1	8	B
2	8	I
1	9	B
2	9	J
1	10	B
2	10	K
1	11	B
2	11	L
1	12	B
2	12	M
1	13	B
2	13	N
1	14	A
2	14	C
1	15	A
2	15	D
1	16	A
2	16	E
1	17	A
2	17	F
1	18	A
2	18	G
1	19	A
2	19	H
1	20	A
2	20	I
1	21	A
2	21	J
1	22	A
2	22	K
1	23	A
2	23	L
1	24	A
2	24	M
1	25	A
2	25	N
1	26	C
2	26	D
1	27	C
2	27	E
1	28	C
2	28	F
1	29	C
2	29	G
1	30	C
2	30	H
1	31	C
2	31	I
1	32	C
2	32	J
1	33	C
2	33	K
1	34	C
2	34	L
1	35	C
2	35	M
1	36	C
2	36	N
1	37	D
2	37	E
1	38	D
2	38	F
1	39	D
2	39	G
1	40	D
2	40	H
1	41	D
2	41	I
1	42	D
2	42	J
1	43	D
2	43	K
1	44	D
2	44	L
1	45	D
2	45	M
1	46	D
2	46	N
1	47	E
2	47	F
1	48	E
2	48	G
1	49	E
2	49	H
1	50	E
2	50	I
1	51	E
2	51	J
1	52	E
2	52	K
1	53	E
2	53	L
1	54	E
2	54	M
1	55	E
2	55	N
1	56	F
2	56	G
1	57	F
2	57	H
1	58	F
2	58	I
1	59	F
2	59	J
1	60	F
2	60	K
1	61	F
2	61	L
1	62	F
2	62	M
1	63	F
2	63	N
1	64	G
2	64	H
1	65	G
2	65	I
1	66	G
2	66	J
1	67	G
2	67	K
1	68	G
2	68	L
1	69	G
2	69	M
1	70	G
2	70	N
1	71	H
2	71	I
1	72	H
2	72	J
1	73	H
2	73	K
1	74	H
2	74	L
1	75	H
2	75	M
1	76	H
2	76	N
1	77	I
2	77	J
1	78	I
2	78	K
1	79	I
2	79	L
1	80	I
2	80	M
1	81	I
2	81	N
1	82	J
2	82	K
1	83	J
2	83	L
1	84	J
2	84	M
1	85	J
2	85	N
1	86	K
2	86	L
1	87	K
2	87	M
1	88	K
2	88	N
1	89	L
2	89	M
1	90	L
2	90	N
1	91	M
2	91	N

NCS domain segments:

Component-ID: _ / Refine code: _

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	LEU	LEU	PRO	PRO	B	A	8 - 72	8 - 72
2	1	LEU	LEU	PRO	PRO	A	B	8 - 72	8 - 72
1	2	LEU	LEU	GLY	GLY	B	A	8 - 70	8 - 70
2	2	LEU	LEU	GLY	GLY	C	C	8 - 70	8 - 70
1	3	LEU	LEU	PRO	PRO	B	A	8 - 72	8 - 72
2	3	LEU	LEU	PRO	PRO	D	D	8 - 72	8 - 72
1	4	LEU	LEU	PRO	PRO	B	A	8 - 72	8 - 72
2	4	LEU	LEU	PRO	PRO	E	E	8 - 72	8 - 72
1	5	LEU	LEU	VAL	VAL	B	A	8 - 71	8 - 71
2	5	LEU	LEU	VAL	VAL	F	F	8 - 71	8 - 71
1	6	LEU	LEU	PRO	PRO	B	A	8 - 72	8 - 72
2	6	LEU	LEU	PRO	PRO	G	G	8 - 72	8 - 72
1	7	LEU	LEU	PRO	PRO	B	A	8 - 72	8 - 72
2	7	LEU	LEU	PRO	PRO	H	H	8 - 72	8 - 72
1	8	LEU	LEU	PRO	PRO	B	A	8 - 72	8 - 72
2	8	LEU	LEU	PRO	PRO	I	I	8 - 72	8 - 72
1	9	LEU	LEU	PRO	PRO	B	A	8 - 72	8 - 72
2	9	LEU	LEU	PRO	PRO	J	J	8 - 72	8 - 72
1	10	LEU	LEU	GLY	GLY	B	A	8 - 70	8 - 70
2	10	LEU	LEU	GLY	GLY	K	K	8 - 70	8 - 70
1	11	LEU	LEU	GLY	GLY	B	A	8 - 70	8 - 70
2	11	LEU	LEU	GLY	GLY	L	L	8 - 70	8 - 70
1	12	LEU	LEU	GLY	GLY	B	A	8 - 70	8 - 70
2	12	LEU	LEU	GLY	GLY	M	M	8 - 70	8 - 70
1	13	LEU	LEU	GLY	GLY	B	A	8 - 70	8 - 70
2	13	LEU	LEU	GLY	GLY	N	N	8 - 70	8 - 70
1	14	LEU	LEU	GLY	GLY	A	B	8 - 70	8 - 70
2	14	LEU	LEU	GLY	GLY	C	C	8 - 70	8 - 70
1	15	LEU	LEU	PRO	PRO	A	B	8 - 72	8 - 72
2	15	LEU	LEU	PRO	PRO	D	D	8 - 72	8 - 72
1	16	LEU	LEU	PRO	PRO	A	B	8 - 72	8 - 72
2	16	LEU	LEU	PRO	PRO	E	E	8 - 72	8 - 72
1	17	LEU	LEU	VAL	VAL	A	B	8 - 71	8 - 71
2	17	LEU	LEU	VAL	VAL	F	F	8 - 71	8 - 71
1	18	LEU	LEU	PRO	PRO	A	B	8 - 72	8 - 72
2	18	LEU	LEU	PRO	PRO	G	G	8 - 72	8 - 72
1	19	LEU	LEU	PRO	PRO	A	B	8 - 72	8 - 72
2	19	LEU	LEU	PRO	PRO	H	H	8 - 72	8 - 72
1	20	LEU	LEU	PRO	PRO	A	B	8 - 72	8 - 72
2	20	LEU	LEU	PRO	PRO	I	I	8 - 72	8 - 72
1	21	LEU	LEU	PRO	PRO	A	B	8 - 72	8 - 72
2	21	LEU	LEU	PRO	PRO	J	J	8 - 72	8 - 72
1	22	LEU	LEU	GLY	GLY	A	B	8 - 70	8 - 70
2	22	LEU	LEU	GLY	GLY	K	K	8 - 70	8 - 70
1	23	LEU	LEU	GLY	GLY	A	B	8 - 70	8 - 70
2	23	LEU	LEU	GLY	GLY	L	L	8 - 70	8 - 70
1	24	LEU	LEU	GLY	GLY	A	B	8 - 70	8 - 70
2	24	LEU	LEU	GLY	GLY	M	M	8 - 70	8 - 70
1	25	LEU	LEU	GLY	GLY	A	B	8 - 70	8 - 70
2	25	LEU	LEU	GLY	GLY	N	N	8 - 70	8 - 70
1	26	LEU	LEU	GLY	GLY	C	C	8 - 70	8 - 70
2	26	LEU	LEU	GLY	GLY	D	D	8 - 70	8 - 70
1	27	LEU	LEU	GLY	GLY	C	C	8 - 70	8 - 70
2	27	LEU	LEU	GLY	GLY	E	E	8 - 70	8 - 70
1	28	LEU	LEU	GLY	GLY	C	C	8 - 70	8 - 70
2	28	LEU	LEU	GLY	GLY	F	F	8 - 70	8 - 70
1	29	LEU	LEU	GLY	GLY	C	C	8 - 70	8 - 70
2	29	LEU	LEU	GLY	GLY	G	G	8 - 70	8 - 70
1	30	LEU	LEU	GLY	GLY	C	C	8 - 70	8 - 70
2	30	LEU	LEU	GLY	GLY	H	H	8 - 70	8 - 70
1	31	LEU	LEU	GLY	GLY	C	C	8 - 70	8 - 70
2	31	LEU	LEU	GLY	GLY	I	I	8 - 70	8 - 70
1	32	LEU	LEU	GLY	GLY	C	C	8 - 70	8 - 70
2	32	LEU	LEU	GLY	GLY	J	J	8 - 70	8 - 70
1	33	LEU	LEU	VAL	VAL	C	C	8 - 71	8 - 71
2	33	LEU	LEU	VAL	VAL	K	K	8 - 71	8 - 71
1	34	LEU	LEU	VAL	VAL	C	C	8 - 71	8 - 71
2	34	LEU	LEU	VAL	VAL	L	L	8 - 71	8 - 71
1	35	LEU	LEU	GLY	GLY	C	C	8 - 70	8 - 70
2	35	LEU	LEU	GLY	GLY	M	M	8 - 70	8 - 70
1	36	LEU	LEU	GLY	GLY	C	C	8 - 70	8 - 70
2	36	LEU	LEU	GLY	GLY	N	N	8 - 70	8 - 70
1	37	LEU	LEU	PRO	PRO	D	D	8 - 72	8 - 72
2	37	LEU	LEU	PRO	PRO	E	E	8 - 72	8 - 72
1	38	LEU	LEU	VAL	VAL	D	D	8 - 71	8 - 71
2	38	LEU	LEU	VAL	VAL	F	F	8 - 71	8 - 71
1	39	LEU	LEU	PRO	PRO	D	D	8 - 72	8 - 72
2	39	LEU	LEU	PRO	PRO	G	G	8 - 72	8 - 72
1	40	LEU	LEU	PRO	PRO	D	D	8 - 72	8 - 72
2	40	LEU	LEU	PRO	PRO	H	H	8 - 72	8 - 72
1	41	LEU	LEU	PRO	PRO	D	D	8 - 72	8 - 72
2	41	LEU	LEU	PRO	PRO	I	I	8 - 72	8 - 72
1	42	LEU	LEU	PRO	PRO	D	D	8 - 72	8 - 72
2	42	LEU	LEU	PRO	PRO	J	J	8 - 72	8 - 72
1	43	LEU	LEU	GLY	GLY	D	D	8 - 70	8 - 70
2	43	LEU	LEU	GLY	GLY	K	K	8 - 70	8 - 70
1	44	LEU	LEU	GLY	GLY	D	D	8 - 70	8 - 70
2	44	LEU	LEU	GLY	GLY	L	L	8 - 70	8 - 70
1	45	LEU	LEU	GLY	GLY	D	D	8 - 70	8 - 70
2	45	LEU	LEU	GLY	GLY	M	M	8 - 70	8 - 70
1	46	LEU	LEU	GLY	GLY	D	D	8 - 70	8 - 70
2	46	LEU	LEU	GLY	GLY	N	N	8 - 70	8 - 70
1	47	LEU	LEU	VAL	VAL	E	E	8 - 71	8 - 71
2	47	LEU	LEU	VAL	VAL	F	F	8 - 71	8 - 71
1	48	LEU	LEU	PRO	PRO	E	E	8 - 72	8 - 72
2	48	LEU	LEU	PRO	PRO	G	G	8 - 72	8 - 72
1	49	LEU	LEU	PRO	PRO	E	E	8 - 72	8 - 72
2	49	LEU	LEU	PRO	PRO	H	H	8 - 72	8 - 72
1	50	LEU	LEU	PRO	PRO	E	E	8 - 72	8 - 72
2	50	LEU	LEU	PRO	PRO	I	I	8 - 72	8 - 72
1	51	LEU	LEU	PRO	PRO	E	E	8 - 72	8 - 72
2	51	LEU	LEU	PRO	PRO	J	J	8 - 72	8 - 72
1	52	LEU	LEU	GLY	GLY	E	E	8 - 70	8 - 70
2	52	LEU	LEU	GLY	GLY	K	K	8 - 70	8 - 70
1	53	LEU	LEU	GLY	GLY	E	E	8 - 70	8 - 70
2	53	LEU	LEU	GLY	GLY	L	L	8 - 70	8 - 70
1	54	LEU	LEU	GLY	GLY	E	E	8 - 70	8 - 70
2	54	LEU	LEU	GLY	GLY	M	M	8 - 70	8 - 70
1	55	LEU	LEU	GLY	GLY	E	E	8 - 70	8 - 70
2	55	LEU	LEU	GLY	GLY	N	N	8 - 70	8 - 70
1	56	LEU	LEU	VAL	VAL	F	F	8 - 71	8 - 71
2	56	LEU	LEU	VAL	VAL	G	G	8 - 71	8 - 71
1	57	LEU	LEU	VAL	VAL	F	F	8 - 71	8 - 71
2	57	LEU	LEU	VAL	VAL	H	H	8 - 71	8 - 71
1	58	LEU	LEU	VAL	VAL	F	F	8 - 71	8 - 71
2	58	LEU	LEU	VAL	VAL	I	I	8 - 71	8 - 71
1	59	LEU	LEU	VAL	VAL	F	F	8 - 71	8 - 71
2	59	LEU	LEU	VAL	VAL	J	J	8 - 71	8 - 71
1	60	LEU	LEU	GLY	GLY	F	F	8 - 70	8 - 70
2	60	LEU	LEU	GLY	GLY	K	K	8 - 70	8 - 70
1	61	LEU	LEU	GLY	GLY	F	F	8 - 70	8 - 70
2	61	LEU	LEU	GLY	GLY	L	L	8 - 70	8 - 70
1	62	GLU	GLU	GLY	GLY	F	F	7 - 70	7 - 70
2	62	GLU	GLU	GLY	GLY	M	M	7 - 70	7 - 70
1	63	GLU	GLU	GLY	GLY	F	F	7 - 70	7 - 70
2	63	GLU	GLU	GLY	GLY	N	N	7 - 70	7 - 70
1	64	LEU	LEU	PRO	PRO	G	G	8 - 72	8 - 72
2	64	LEU	LEU	PRO	PRO	H	H	8 - 72	8 - 72
1	65	LEU	LEU	PRO	PRO	G	G	8 - 72	8 - 72
2	65	LEU	LEU	PRO	PRO	I	I	8 - 72	8 - 72
1	66	LEU	LEU	PRO	PRO	G	G	8 - 72	8 - 72
2	66	LEU	LEU	PRO	PRO	J	J	8 - 72	8 - 72
1	67	LEU	LEU	GLY	GLY	G	G	8 - 70	8 - 70
2	67	LEU	LEU	GLY	GLY	K	K	8 - 70	8 - 70
1	68	LEU	LEU	GLY	GLY	G	G	8 - 70	8 - 70
2	68	LEU	LEU	GLY	GLY	L	L	8 - 70	8 - 70
1	69	LEU	LEU	GLY	GLY	G	G	8 - 70	8 - 70
2	69	LEU	LEU	GLY	GLY	M	M	8 - 70	8 - 70
1	70	LEU	LEU	GLY	GLY	G	G	8 - 70	8 - 70
2	70	LEU	LEU	GLY	GLY	N	N	8 - 70	8 - 70
1	71	LEU	LEU	PRO	PRO	H	H	8 - 72	8 - 72
2	71	LEU	LEU	PRO	PRO	I	I	8 - 72	8 - 72
1	72	LEU	LEU	PRO	PRO	H	H	8 - 72	8 - 72
2	72	LEU	LEU	PRO	PRO	J	J	8 - 72	8 - 72
1	73	LEU	LEU	GLY	GLY	H	H	8 - 70	8 - 70
2	73	LEU	LEU	GLY	GLY	K	K	8 - 70	8 - 70
1	74	LEU	LEU	GLY	GLY	H	H	8 - 70	8 - 70
2	74	LEU	LEU	GLY	GLY	L	L	8 - 70	8 - 70
1	75	LEU	LEU	GLY	GLY	H	H	8 - 70	8 - 70
2	75	LEU	LEU	GLY	GLY	M	M	8 - 70	8 - 70
1	76	LEU	LEU	GLY	GLY	H	H	8 - 70	8 - 70
2	76	LEU	LEU	GLY	GLY	N	N	8 - 70	8 - 70
1	77	LEU	LEU	PRO	PRO	I	I	8 - 72	8 - 72
2	77	LEU	LEU	PRO	PRO	J	J	8 - 72	8 - 72
1	78	LEU	LEU	GLY	GLY	I	I	8 - 70	8 - 70
2	78	LEU	LEU	GLY	GLY	K	K	8 - 70	8 - 70
1	79	LEU	LEU	GLY	GLY	I	I	8 - 70	8 - 70
2	79	LEU	LEU	GLY	GLY	L	L	8 - 70	8 - 70
1	80	LEU	LEU	GLY	GLY	I	I	8 - 70	8 - 70
2	80	LEU	LEU	GLY	GLY	M	M	8 - 70	8 - 70
1	81	LEU	LEU	GLY	GLY	I	I	8 - 70	8 - 70
2	81	LEU	LEU	GLY	GLY	N	N	8 - 70	8 - 70
1	82	LEU	LEU	GLY	GLY	J	J	8 - 70	8 - 70
2	82	LEU	LEU	GLY	GLY	K	K	8 - 70	8 - 70
1	83	LEU	LEU	GLY	GLY	J	J	8 - 70	8 - 70
2	83	LEU	LEU	GLY	GLY	L	L	8 - 70	8 - 70
1	84	LEU	LEU	GLY	GLY	J	J	8 - 70	8 - 70
2	84	LEU	LEU	GLY	GLY	M	M	8 - 70	8 - 70
1	85	LEU	LEU	GLY	GLY	J	J	8 - 70	8 - 70
2	85	LEU	LEU	GLY	GLY	N	N	8 - 70	8 - 70
1	86	LEU	LEU	VAL	VAL	K	K	8 - 71	8 - 71
2	86	LEU	LEU	VAL	VAL	L	L	8 - 71	8 - 71
1	87	LEU	LEU	GLY	GLY	K	K	8 - 70	8 - 70
2	87	LEU	LEU	GLY	GLY	M	M	8 - 70	8 - 70
1	88	LEU	LEU	GLY	GLY	K	K	8 - 70	8 - 70
2	88	LEU	LEU	GLY	GLY	N	N	8 - 70	8 - 70
1	89	LEU	LEU	GLY	GLY	L	L	8 - 70	8 - 70
2	89	LEU	LEU	GLY	GLY	M	M	8 - 70	8 - 70
1	90	LEU	LEU	GLY	GLY	L	L	8 - 70	8 - 70
2	90	LEU	LEU	GLY	GLY	N	N	8 - 70	8 - 70
1	91	ALA	ALA	VAL	VAL	M	M	5 - 71	5 - 71
2	91	ALA	ALA	VAL	VAL	N	N	5 - 71	5 - 71

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
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91

Components

#1: Protein

B A C D E F G H I J K L M N
Growth-regulated alpha protein / C-X-C motif chemokine 1 / Platelet-derived growth factor-inducible protein KC / Secretory protein N51

Details:

Mass: 7857.354 Da / Num. of mol.: 14 / Mutation: K28C
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Gene: Cxcl1, Gro, Gro1, Mgsa, Scyb1 / Production host: Escherichia coli (E. coli) / References: UniProt: P12850

#2: Chemical

B-101 A-101 C-101 D-101 E-101 F-101 I-101 J-101 L-101 M-101
ChemComp-NO3 / NITRATE ION

Details:

Mass: 62.005 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: NO₃

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

Experimental details

Experiment

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

Sample preparation

• Crystal: Density Matthews: 2.92 ų/Da / Density % sol: 57.87 %
• Crystal grow: Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 8 ; Details: 8% PEG-500MME, 4% PEG-20,000, 100 mM of Bicine/Tris (base) pH 8.0, with 10 mM of Sodium nitrate, sodium phosphate dibasic, Ammonium sulfate.

Data collection

• Diffraction: Mean temperature: 100 K / Serial crystal experiment: N
• Diffraction source: Source: SYNCHROTRON / Site: APS / Beamline: 21-ID-F / Wavelength: 0.97857 Å
• Detector: Type: MAR CCD 300 mm / Detector: CCD / Date: Apr 17, 2019
• Radiation: Monochromator: C(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 0.97857 Å / Relative weight: 1
• Reflection: Resolution: 3.4→165.79 Å / Num. obs: 12807 / % possible obs: 99.9 % / Redundancy: 4 % / CC_1/2: 0.985 / CC star: 0.996 / R_pim(I) all: 0.056 / R_rim(I) all: 0.113 / Χ²: 0.861 / Net I/σ(I): 13.9
• Reflection shell: Resolution: 3.4→3.73 Å / Redundancy: 4.1 % / R_merge(I) obs: 0.85 / Mean I/σ(I) obs: 1.23 / Num. unique obs: 1526 / CC_1/2: 0.592 / CC star: 0.862 / R_pim(I) all: 0.602 / R_rim(I) all: 1.215 / Χ²: 0.736 / % possible all: 100

Processing

Software

Name	Version	Classification
REFMAC	5.8.0158	refinement
PDB_EXTRACT	3.28	data extraction
HKL-2000	2.3.12	data reduction
HKL-2000	2.3.12	data scaling
PHASER	2.7.17	phasing

Refinement

Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.6→165.79 Å / Cor.coef. F_o:F_c: 0.824 / Cor.coef. F_o:F_c free: 0.783 / SU B: 122.214 / SU ML: 0.748 / SU R Cruickshank DPI: 0.7854 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R Free: 0.854 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : WITH TLS ADDED

	Rfactor	Num. reflection	% reflection	Selection details
Rfree	0.3029	677	5.1 %	RANDOM
Rwork	0.2857	-	-	-
obs	0.2866	12508	86.17 %	-

• 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 max: 134.17 Ų / B_iso mean: 52.413 Ų / B_iso min: 14.36 Ų

	Baniso -1	Baniso -2	Baniso -3
1-	0.85 Å2	-0 Å2	-0.87 Å2
2-	-	-2.86 Å2	0 Å2
3-	-	-	2.02 Å2

Refinement step

Cycle: final / Resolution: 3.6→165.79 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	6651	0	40	0	6691
Biso mean	-	-	24.33	-	-
Num. residues	-	-	-	-	912

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.007	0.019	6795
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	6513
X-RAY DIFFRACTION	r_angle_refined_deg	0.929	2.003	9252
X-RAY DIFFRACTION	r_angle_other_deg	0.855	3	15229
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	4.176	5	898
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	37.852	27.13	216
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	11.357	15	1204
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	7.683	15	17
X-RAY DIFFRACTION	r_chiral_restr	0.051	0.2	1164
X-RAY DIFFRACTION	r_gen_planes_refined	0.005	0.021	7328
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	957
X-RAY DIFFRACTION	r_mcbond_it	0.023	1.075	3634
X-RAY DIFFRACTION	r_mcbond_other	0.023	1.075	3633
X-RAY DIFFRACTION	r_mcangle_it	0.043	1.611	4518

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	B	3308	0.04
1	2	A	3308	0.04
2	1	B	3242	0.05
2	2	C	3242	0.05
3	1	B	3296	0.05
3	2	D	3296	0.05
4	1	B	3322	0.05
4	2	E	3322	0.05
5	1	B	3222	0.07
5	2	F	3222	0.07
6	1	B	3284	0.06
6	2	G	3284	0.06
7	1	B	3298	0.03
7	2	H	3298	0.03
8	1	B	3286	0.06
8	2	I	3286	0.06
9	1	B	3288	0.06
9	2	J	3288	0.06
10	1	B	3222	0
10	2	K	3222	0
11	1	B	3222	0
11	2	L	3222	0
12	1	B	3208	0
12	2	M	3208	0
13	1	B	3220	0.04
13	2	N	3220	0.04
14	1	A	3240	0.04
14	2	C	3240	0.04
15	1	A	3282	0.06
15	2	D	3282	0.06
16	1	A	3300	0.06
16	2	E	3300	0.06
17	1	A	3224	0.08
17	2	F	3224	0.08
18	1	A	3276	0.08
18	2	G	3276	0.08
19	1	A	3300	0.05
19	2	H	3300	0.05
20	1	A	3278	0.07
20	2	I	3278	0.07
21	1	A	3282	0.08
21	2	J	3282	0.08
22	1	A	3222	0.03
22	2	K	3222	0.03
23	1	A	3230	0.04
23	2	L	3230	0.04
24	1	A	3210	0.03
24	2	M	3210	0.03
25	1	A	3228	0.06
25	2	N	3228	0.06
26	1	C	3206	0.05
26	2	D	3206	0.05
27	1	C	3220	0.06
27	2	E	3220	0.06
28	1	C	3186	0.08
28	2	F	3186	0.08
29	1	C	3202	0.07
29	2	G	3202	0.07
30	1	C	3228	0.03
30	2	H	3228	0.03
31	1	C	3208	0.05
31	2	I	3208	0.05
32	1	C	3218	0.05
32	2	J	3218	0.05
33	1	C	3240	0.06
33	2	K	3240	0.06
34	1	C	3252	0.06
34	2	L	3252	0.06
35	1	C	3208	0.03
35	2	M	3208	0.03
36	1	C	3222	0.06
36	2	N	3222	0.06
37	1	D	3286	0.06
37	2	E	3286	0.06
38	1	D	3222	0.07
38	2	F	3222	0.07
39	1	D	3264	0.08
39	2	G	3264	0.08
40	1	D	3278	0.06
40	2	H	3278	0.06
41	1	D	3282	0.07
41	2	I	3282	0.07
42	1	D	3284	0.07
42	2	J	3284	0.07
43	1	D	3218	0.03
43	2	K	3218	0.03
44	1	D	3218	0.03
44	2	L	3218	0.03
45	1	D	3204	0.03
45	2	M	3204	0.03
46	1	D	3216	0.05
46	2	N	3216	0.05
47	1	E	3228	0.07
47	2	F	3228	0.07
48	1	E	3296	0.05
48	2	G	3296	0.05
49	1	E	3290	0.05
49	2	H	3290	0.05
50	1	E	3288	0.06
50	2	I	3288	0.06
51	1	E	3300	0.05
51	2	J	3300	0.05
52	1	E	3214	0.04
52	2	K	3214	0.04
53	1	E	3216	0.04
53	2	L	3216	0.04
54	1	E	3204	0.04
54	2	M	3204	0.04
55	1	E	3214	0.05
55	2	N	3214	0.05
56	1	F	3232	0.06
56	2	G	3232	0.06
57	1	F	3216	0.08
57	2	H	3216	0.08
58	1	F	3226	0.07
58	2	I	3226	0.07
59	1	F	3222	0.08
59	2	J	3222	0.08
60	1	F	3196	0.07
60	2	K	3196	0.07
61	1	F	3198	0.07
61	2	L	3198	0.07
62	1	F	3208	0.08
62	2	M	3208	0.08
63	1	F	3218	0.09
63	2	N	3218	0.09
64	1	G	3288	0.06
64	2	H	3288	0.06
65	1	G	3282	0.08
65	2	I	3282	0.08
66	1	G	3300	0.06
66	2	J	3300	0.06
67	1	G	3190	0.07
67	2	K	3190	0.07
68	1	G	3202	0.07
68	2	L	3202	0.07
69	1	G	3188	0.06
69	2	M	3188	0.06
70	1	G	3200	0.08
70	2	N	3200	0.08
71	1	H	3284	0.06
71	2	I	3284	0.06
72	1	H	3294	0.06
72	2	J	3294	0.06
73	1	H	3214	0.02
73	2	K	3214	0.02
74	1	H	3226	0.03
74	2	L	3226	0.03
75	1	H	3210	0
75	2	M	3210	0
76	1	H	3224	0.05
76	2	N	3224	0.05
77	1	I	3306	0.04
77	2	J	3306	0.04
78	1	I	3204	0.04
78	2	K	3204	0.04
79	1	I	3210	0.05
79	2	L	3210	0.05
80	1	I	3200	0.03
80	2	M	3200	0.03
81	1	I	3208	0.06
81	2	N	3208	0.06
82	1	J	3206	0.05
82	2	K	3206	0.05
83	1	J	3218	0.05
83	2	L	3218	0.05
84	1	J	3204	0.04
84	2	M	3204	0.04
85	1	J	3216	0.06
85	2	N	3216	0.06
86	1	K	3256	0
86	2	L	3256	0
87	1	K	3210	0
87	2	M	3210	0
88	1	K	3222	0.04
88	2	N	3222	0.04
89	1	L	3212	0
89	2	M	3212	0
90	1	L	3234	0.05
90	2	N	3234	0.05
91	1	M	3336	0.04
91	2	N	3336	0.04

LS refinement shell

Resolution: 3.605→3.698 Å / R_factor R_free error: 0 / Total num. of bins used: 20

	Rfactor	Num. reflection	% reflection
Rfree	0.343	3	-
Rwork	0.329	81	-
all	-	84	-
obs	-	-	7.47 %

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	2.9025	2.8875	-2.1623	5.487	5.022	21.9792	0.0749	0.0072	0.102	0.3628	-0.4199	0.1794	0.2317	-0.8102	0.3449	0.4803	-0.2148	-0.0712	0.4186	0.1268	0.2478	44.076	13.439	12.815
2	8.0607	-3.2761	2.0198	8.9139	-3.8464	2.2833	0.0403	-0.0693	0.2369	-0.3126	0.0929	0.5291	0.2205	0.0274	-0.1332	0.2536	0.0066	0.1325	0.2495	-0.0476	0.1722	38.374	5.032	7.098
3	3.6846	-1.3987	2.7351	4.5771	0.8986	2.9937	0.1712	0.626	-0.0274	-0.0742	-0.0545	-0.0197	0.1168	0.602	-0.1167	0.4105	-0.018	0.1969	0.2096	-0.0933	0.1995	41.956	5.648	7.946
4	22.8711	-1.5651	6.2873	0.2366	-0.1102	3.1662	-0.0696	-0.3449	-1.5401	0.0238	0.1786	0.2037	0.579	-0.0535	-0.109	0.6696	-0.0778	0.0199	0.5516	0.0516	0.4266	37.11	-1.347	-1.403
5	8.3838	-0.637	-0.0295	16.6712	-4.3013	3.7996	0.2086	0.2815	-0.3464	0.3724	-0.3248	0.4557	-0.3109	0.1517	0.1162	0.2639	0.0362	0.0228	0.3792	-0.0941	0.0728	21.566	5.59	5.308
6	0.9945	-0.4842	1.1574	0.7626	-1.4236	2.7607	0.2452	-0.0879	-0.346	0.1541	-0.2112	-0.0419	-0.1157	0.2965	-0.034	0.4939	-0.1293	-0.0545	0.354	-0.0062	0.4506	27.384	2.896	7.014
7	6.265	-1.5272	0.6947	15.6442	3.3131	2.1196	0.2258	1.147	0.3766	-0.7535	-0.3206	-0.3033	0.8276	-0.5037	0.0948	0.8078	-0.4313	0.0392	0.5321	0.0287	0.21	23.847	6.522	0.1
8	32.7153	3.6856	-10.0765	33.047	-24.5906	19.972	-0.3928	-0.2275	0.822	0.1644	0.2477	-0.3911	-0.0308	-0.0913	0.1451	0.4236	0.1042	-0.0102	0.7005	0.0718	0.3428	34.033	13.25	-2.073
9	2.073	-2.2705	-0.1056	4.9856	6.6544	18.6486	-0.0735	-0.0046	-0.5774	-0.3975	-0.3916	0.6975	-0.3042	-0.3418	0.4651	0.7445	0.4196	0.079	0.4748	0.205	0.3649	43.751	-16.574	69.98
10	9.691	7.0925	-3.078	12.7296	-2.7956	1.3446	-0.0145	-0.1658	-0.0625	0.0196	0.152	0.2296	-0.0915	0.1927	-0.1375	0.3444	0.0076	-0.1591	0.2655	-0.082	0.1941	38.241	-7.491	75.835
11	5.7818	2.0675	-2.5849	5.1952	3.7557	6.0905	0.2959	-0.9037	-0.0211	0.0345	-0.1406	-0.1163	-0.227	0.6862	-0.1552	0.3894	0.059	-0.2234	0.3542	-0.1119	0.1549	41.858	-8.085	75.741
12	9.2486	8.6022	-1.1174	11.0386	-0.2118	0.3664	-1.0153	0.4313	0.3932	-0.4889	1.0846	0.3616	0.194	0.1304	-0.0693	0.6955	-0.0187	0.0849	0.7197	0.0612	0.16	36.13	-0.607	84.21
13	13.9758	11.1646	-1.9735	12.2454	5.7586	17.7872	-0.928	-0.2135	3.9419	-0.8139	0.8032	3.4043	1.08	1.9936	0.1248	1.0612	-0.0765	-0.2257	0.3961	-0.0587	1.1809	20.526	1.058	71.775
14	5.9588	4.1657	-4.1509	12.2088	-1.5762	3.1321	0.5296	-0.1969	0.0655	0.1133	-0.5002	-0.304	-0.415	-0.0309	-0.0294	0.2927	-0.1258	-0.1477	0.4047	-0.0425	0.1956	25.799	-7.595	78.684
15	6.4022	-2.3172	2.1831	9.6655	2.0495	9.9593	0.6321	-0.4252	0.0912	0.2565	-0.0918	-0.0936	-0.5129	-0.3952	-0.5403	0.2267	-0.0177	0.0082	0.2196	0.0434	0.1336	24.1	-9.569	79.835
16	31.1035	5.867	-0.821	20.4454	-17.787	16.1001	-0.2053	-0.4858	-1.4583	0.3117	0.365	-0.0508	-0.3079	-0.3685	-0.1597	0.4607	-0.0579	-0.1261	0.6312	0.1579	0.2513	33.008	-15.409	85.182
17	2.2179	-2.0598	2.7969	6.2944	1.389	7.6142	-0.0049	0.4055	0.1033	0.104	-0.0063	0.0062	0.0937	0.5058	0.0111	0.2309	-0.1193	0.0831	0.4965	0.0318	0.3003	60.034	1.132	36.349
18	0.6554	-2.0751	0.2411	6.6911	-0.5354	0.5529	-0.0877	0.1382	-0.2548	0.2052	-0.3649	1.108	-0.246	0.2971	0.4526	0.7065	-0.1542	-0.0889	0.4953	0.0493	0.8687	57.399	9.783	29.38
19	6.5524	2.8345	1.3026	2.239	3.3068	11.7309	-0.1553	-0.3852	-0.3199	0.1931	0.1157	-0.718	0.4649	0.9654	0.0396	0.2201	0.0576	-0.2061	0.3696	0.0012	1.0473	57.944	-1.167	35.145
20	5.8463	-1.5043	4.6461	12.5917	13.3295	21.0483	0.7731	-0.5442	-0.1681	-0.5891	0.5877	-1.0774	0.2416	0.2756	-1.3608	0.419	0.0047	0.1471	0.7472	0.0972	0.4455	66.888	-2.806	26.481
21	8.5395	-3.5124	3.0504	4.0138	-0.0317	1.6886	0.4751	0.1795	-1.2086	0.7817	-0.1656	0.8848	0.6161	0.0952	-0.3095	0.6893	-0.0435	0.1958	0.4857	-0.2467	0.486	48.493	-5.151	17.086
22	3.8153	-1.7302	-2.2991	9.2443	-1.6763	3.1691	0.0233	0.2375	0.0328	-0.3517	0.389	0.7517	0.2326	0.3372	-0.4123	0.6315	-0.1299	-0.0441	0.5606	-0.0716	0.1446	54.88	-0.897	20.96
23	6.2209	-4.2414	2.0532	16.4514	0.1234	0.8721	-0.3255	0.6547	0.0039	0.6588	0.3709	-0.3961	0.0082	0.2437	-0.0454	0.379	-0.1377	0.0947	0.329	0.019	0.0953	54.403	2.619	16.928
24	17.347	12.6338	7.0602	15.5501	-1.5329	9.9963	-0.2199	0.0648	0.6177	-0.4543	0.1067	0.3088	0.1084	0.0743	0.1131	0.5545	-0.3095	0.2103	0.6507	-0.0706	0.9029	64.288	8.893	21.806
25	32.1218	22.7083	-7.6321	19.4791	-0.9904	7.5328	1.9065	-0.7593	-0.5218	2.2384	-0.8535	-1.4316	0.7293	-0.3376	-1.053	0.5886	0.1292	-0.1599	0.7778	-0.2104	1.0027	14.129	24.195	15.076
26	4.5372	-3.3934	-2.6427	8.6122	-2.2111	4.4877	0.0152	0.1779	-0.2066	-0.122	-0.1453	0.2943	0.0681	-0.1435	0.1301	0.2048	-0.0158	-0.0861	0.3448	-0.0027	0.2536	9.163	10.294	7.726
27	3.481	0.5662	-0.7398	19.2954	-1.389	1.1434	0.3389	0.4715	0.2161	0.5401	-0.2964	1.5244	-0.528	0.116	-0.0425	0.287	-0.0783	-0.0049	0.2579	-0.0085	0.373	9.627	15.314	10.907
28	5.4065	-2.2394	4.4422	3.2489	0.4481	6.2933	-0.1306	0.1333	-0.318	-0.1691	-0.2039	0.2456	-0.2853	-0.3236	0.3345	0.3027	-0.0453	0.0789	0.4681	-0.2388	0.7062	4.115	8.096	5.332
29	12.0336	-7.6487	-5.7052	13.5665	8.6633	6.793	-1.1659	0.6799	0.0707	1.4992	0.9077	-0.4478	1.4236	0.2427	0.2582	0.4212	-0.045	0.0934	0.4214	-0.2048	0.3258	-3.409	5.316	25.728
30	4.1767	-0.9177	-4.0745	8.3845	-0.0204	4.0838	0.9606	0.7659	0.1544	-1.6869	-0.895	-1.1202	-0.7638	-0.6243	-0.0657	0.6236	0.2706	0.1088	0.6116	-0.0816	0.4094	-2.829	15.946	16.572
31	1.089	2.4094	-3.4191	5.5155	-7.692	11.0453	-0.3472	0.1777	-0.1328	-0.6145	0.1205	-0.3045	0.7514	-0.7495	0.2268	0.3325	0.2135	0.004	1.0119	0.0511	0.5384	-3.628	11.145	19.452
32	9.2061	-11.2453	0.9196	14.0731	-2.0793	2.9091	0.3773	0.0933	0.8712	-0.2987	0.2628	-0.8639	-0.2794	-0.9959	-0.6401	0.5279	0.077	-0.0695	0.6118	0.1259	0.4579	-4.624	18.52	8.54
33	38.86	12.7844	-21.1196	8.5223	-8.5848	22.0016	0.4312	-0.8571	-0.2164	0.3242	0.3392	0.2893	1.0624	0.1001	-0.7704	0.2953	0.1721	-0.0407	0.4389	0.1308	0.1845	56.363	-12.936	44.465
34	5.1783	-1.7119	-4.8304	8.8596	-4.8124	9.4654	-0.1123	-0.3588	-0.1005	-0.2362	-0.1185	-0.1503	0.3111	0.5765	0.2308	0.4215	-0.0429	-0.1947	0.5197	-0.0494	0.1932	60.031	-4.24	51.107
35	7.0885	-1.2266	2.067	3.0646	5.073	11.2357	-1.0003	-0.0164	0.0698	0.1316	1.0233	-0.2524	-0.4963	1.6321	-0.023	0.2721	-0.0017	-0.1694	0.6634	-0.2873	0.5805	61.663	-2.409	49.368
36	14.387	-0.1672	-19.0994	32.8942	16.5212	33.7108	0.5283	0.569	0.8115	-0.4654	0.8487	-1.4268	-0.8294	-0.0185	-1.3771	0.2634	-0.0054	0.0831	0.8546	0.3659	0.8071	64.895	4.274	59.244
37	8.1226	5.4143	-3.2528	6.0327	-0.3221	3.5517	0.0701	-0.2134	-0.1158	-0.4603	0.168	0.1208	0.0765	0.9915	-0.238	0.4597	0.25	-0.3157	0.6598	-0.2885	0.2449	51.229	-4.232	66.416
38	0.4766	0.2885	-1.2508	0.1768	-0.7726	3.3973	0.2949	-0.0548	0.1718	0.1746	-0.014	0.0828	-0.75	0.0213	-0.2809	0.5947	0.0456	-0.0376	0.428	-0.1165	0.46	54.274	5.252	59.635
39	4.451	3.4709	-2.26	23.2772	9.6523	7.4959	-0.2083	-0.1769	0.5857	-0.4027	0.5949	0.3488	-0.0498	0.4444	-0.3866	0.3402	0.1473	-0.1378	0.3189	0.0512	0.2214	50.408	-5.699	64.016
40	14.3481	-5.4494	0.2966	2.1138	-0.3141	1.3964	0.1087	-0.0174	0.3599	-0.1092	-0.0963	-0.1989	0.3648	0.2166	-0.0124	0.3502	0.1075	-0.0145	0.5542	0.1356	0.5011	62.684	-7.234	65.284
41	9.9347	-0.3048	3.3095	7.9028	-1.6686	1.4158	0.0707	-0.2099	-0.1807	-0.0239	-0.0179	0.0139	0.0196	-0.0889	-0.0528	0.3566	0.0661	0.0581	0.3359	0.0159	0.1612	10.839	-12.944	74.758
42	0.0015	0.0009	-0.001	0.0017	-0.0004	0.0013	-0.0336	-0.0037	-0.0016	-0.0191	0.0186	-0.0145	0.0117	0.0191	0.015	0.9566	-0.0929	-0.2696	0.6311	0.0726	0.6143	6.41	-26.366	70.99
43	9.5586	8.222	-4.4592	16.1394	-6.0295	3.8008	-0.0181	-0.4955	-0.3059	0.3795	0.0718	-0.1459	0.5069	0.4533	-0.0537	0.3466	0.131	-0.0901	0.277	-0.0328	0.2028	10.491	-13.66	73.831
44	13.2406	-13.644	1.0725	23.8489	-3.074	8.0732	0.6797	0.1867	-0.4941	0.0018	-0.1078	0.7582	-0.4501	0.4954	-0.5719	0.2395	-0.0693	0.04	0.5095	-0.1478	0.4483	0.079	-9.602	78.676
45	33.767	-5.5218	5.3485	9.1851	7.0811	8.6077	-0.465	0.2812	-0.0073	-1.0207	0.9575	-0.6192	-1.1296	0.7934	-0.4925	0.5377	-0.0507	0.0372	0.531	-0.2735	0.1431	-1.297	-5.907	56.545
46	5.3578	2.1539	1.9262	20.195	1.8791	0.7945	0.2476	-0.4384	0.2548	1.3023	-0.3671	0.0353	0.2617	-0.1963	0.1195	0.3806	-0.0326	0.0612	0.5196	-0.1928	0.0995	-3.773	-17.969	65.609
47	1.8939	-1.8814	4.3385	2.0752	-4.3239	9.9794	-0.1395	-0.5612	0.0054	0.1839	0.2495	-0.1193	-0.1757	-1.2276	-0.11	0.3592	-0.0418	-0.0801	0.5981	-0.0012	0.485	-4.125	-13.689	64.075
48	2.3043	5.2678	-2.7917	12.136	-7.6183	26.248	-0.0176	-0.5087	-0.4549	-0.1291	-1.0329	-1.1488	0.6575	-0.7953	1.0505	0.4268	-0.0725	0.1067	0.5131	-0.0309	0.4097	-3.854	-21.542	75.155
49	0.9218	-1.4563	-1.8426	10.5414	-0.4701	5.1215	0.4718	0.0213	0.1229	-0.7805	-0.4181	-0.9591	-0.9374	0.0249	-0.0537	0.323	0.095	-0.0241	0.6064	0.0192	0.583	-5.749	-18.244	29.005
50	1.286	-3.2209	1.4944	15.321	0.6903	4.6733	-0.1534	-0.1286	-0.1232	0.1317	0.4361	0.23	-0.0464	-0.2373	-0.2828	0.4097	-0.1617	-0.0607	0.354	-0.1067	0.3532	-10.719	-25.028	37.192
51	1.823	-3.5753	-1.2389	10.5009	-1.2617	5.0703	0.1662	0.162	0.1762	0.0667	-0.2441	-0.4842	-0.4104	-0.5392	0.0779	0.2157	-0.0478	-0.1002	0.4448	-0.056	0.2927	-6.638	-21.211	33.77
52	14.8485	12.0154	-1.3724	10.3058	-0.4341	0.9243	0.069	-0.3693	0.216	0.2648	-0.4748	0.518	0.1936	-0.0977	0.4058	0.3012	-0.0173	-0.0741	0.8721	-0.1285	0.3727	-17.707	-25.066	35.586
53	0.2819	1.0363	0.1451	8.3484	-1.3517	0.9461	0.1756	0.1286	-0.0731	0.2228	-0.39	-1.2364	0.4099	0.3403	0.2144	0.4586	-0.0968	-0.1008	0.7553	0.0207	0.6525	-5.022	-27.584	53.901
54	8.9372	4.5245	-2.6377	2.7284	-3.0529	7.5489	-0.5697	0.4138	-0.1187	-0.2198	0.2974	-0.1359	-0.1809	-0.4461	0.2723	0.3404	0.0872	0.0592	0.3217	-0.1582	0.2115	-10.996	-18.822	46.373
55	4.1927	-0.7102	0.1518	1.0487	2.1387	5.1694	-0.0488	-0.2188	-0.3492	-0.1409	-0.1541	0.1073	-0.0588	-0.552	0.2029	0.8281	-0.1104	0.1307	0.4452	-0.0561	0.4091	-8.108	-25.913	48.274
56	6.3023	1.9779	-1.4355	7.8899	0.258	1.0278	-0.3885	0.018	-0.4226	-0.0589	-0.0656	0.1558	-0.2745	-0.7979	0.454	0.5075	0.2858	-0.099	1.1222	-0.3595	0.504	-15.274	-18.301	47.986

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	8 - 17
2	X-RAY DIFFRACTION	2	A	18 - 36
3	X-RAY DIFFRACTION	3	A	37 - 59
4	X-RAY DIFFRACTION	4	A	60 - 72
5	X-RAY DIFFRACTION	5	B	8 - 24
6	X-RAY DIFFRACTION	6	B	25 - 47
7	X-RAY DIFFRACTION	7	B	48 - 63
8	X-RAY DIFFRACTION	8	B	64 - 72
9	X-RAY DIFFRACTION	9	C	8 - 17
10	X-RAY DIFFRACTION	10	C	18 - 36
11	X-RAY DIFFRACTION	11	C	37 - 61
12	X-RAY DIFFRACTION	12	C	62 - 71
13	X-RAY DIFFRACTION	13	D	8 - 14
14	X-RAY DIFFRACTION	14	D	15 - 38
15	X-RAY DIFFRACTION	15	D	39 - 62
16	X-RAY DIFFRACTION	16	D	63 - 72
17	X-RAY DIFFRACTION	17	E	8 - 25
18	X-RAY DIFFRACTION	18	E	26 - 38
19	X-RAY DIFFRACTION	19	E	39 - 54
20	X-RAY DIFFRACTION	20	E	55 - 72
21	X-RAY DIFFRACTION	21	F	7 - 19
22	X-RAY DIFFRACTION	22	F	20 - 39
23	X-RAY DIFFRACTION	23	F	40 - 63
24	X-RAY DIFFRACTION	24	F	64 - 72
25	X-RAY DIFFRACTION	25	G	8 - 11
26	X-RAY DIFFRACTION	26	G	12 - 33
27	X-RAY DIFFRACTION	27	G	34 - 47
28	X-RAY DIFFRACTION	28	G	48 - 72
29	X-RAY DIFFRACTION	29	H	8 - 16
30	X-RAY DIFFRACTION	30	H	17 - 33
31	X-RAY DIFFRACTION	31	H	34 - 59
32	X-RAY DIFFRACTION	32	H	60 - 72
33	X-RAY DIFFRACTION	33	I	8 - 15
34	X-RAY DIFFRACTION	34	I	16 - 38
35	X-RAY DIFFRACTION	35	I	39 - 62
36	X-RAY DIFFRACTION	36	I	63 - 72
37	X-RAY DIFFRACTION	37	J	8 - 25
38	X-RAY DIFFRACTION	38	J	26 - 38
39	X-RAY DIFFRACTION	39	J	39 - 54
40	X-RAY DIFFRACTION	40	J	55 - 72
41	X-RAY DIFFRACTION	41	K	8 - 28
42	X-RAY DIFFRACTION	42	K	29 - 37
43	X-RAY DIFFRACTION	43	K	38 - 56
44	X-RAY DIFFRACTION	44	K	57 - 71
45	X-RAY DIFFRACTION	45	L	8 - 14
46	X-RAY DIFFRACTION	46	L	15 - 33
47	X-RAY DIFFRACTION	47	L	34 - 61
48	X-RAY DIFFRACTION	48	L	62 - 71
49	X-RAY DIFFRACTION	49	M	5 - 20
50	X-RAY DIFFRACTION	50	M	21 - 33
51	X-RAY DIFFRACTION	51	M	34 - 50
52	X-RAY DIFFRACTION	52	M	51 - 71
53	X-RAY DIFFRACTION	53	N	5 - 19
54	X-RAY DIFFRACTION	54	N	20 - 33
55	X-RAY DIFFRACTION	55	N	34 - 46
56	X-RAY DIFFRACTION	56	N	47 - 71