PDB-4v4k: Bacteriophage P22 Portal Protein bound to middle Tail Factor GP4....

ID or keywords:

Entry

Database: PDB / ID: 4v4k

Title

Bacteriophage P22 Portal Protein bound to middle Tail Factor GP4. This file contain the second biological assembly

Components

PACKAGED DNA STABILIZATION PROTEIN GP4
PORTAL PROTEIN

Keywords

VIRAL PROTEIN / PORTAL PROTEIN / DNA EJECTION /

MOLECULAR MOTOR /

DNA PACKAGING /

PODOVIRIDAE /

VIRUS ASSEMBLY /

LATE PROTEIN

Function / homology

Function and homology information

viral DNA genome packaging, headful / symbiont entry into host cell via disruption of host cell wall peptidoglycan / viral portal complex / symbiont genome ejection through host cell envelope, short tail mechanism / symbiont entry into host cell via disruption of host cell envelope / viral DNA genome packaging / virus tail /

virion assembly /

hydrolase activity
Similarity search - Function

Biological species

ENTEROBACTERIA PHAGE P22 (virus)

Method

X-RAY DIFFRACTION /

SYNCHROTRON / Resolution: 3.251 Å

Authors

Olia, A.S. / Cingolani, G.

Citation

Journal: Nat.Struct.Mol.Biol. / Year: 2011
Title: Three-dimensional structure of a viral genome-delivery portal vertex.
Authors: Olia, A.S. / Prevelige, P.E. / Johnson, J.E. / Cingolani, G.

History

Deposition	Apr 19, 2010	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jul 9, 2014	Provider: repository / Type: Initial release
Supersession	Dec 10, 2014	ID: 3LJ4, 1VT0
Revision 1.1	Dec 10, 2014	Group: Other
Revision 1.2	Nov 22, 2017	Group: Refinement description / Category: software Item: _software.classification / _software.name / _software.version
Revision 1.3	Oct 6, 2021	Group: Database references / Derived calculations / Category: database_2 / struct_conn / struct_ref_seq_dif Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_leaving_atom_flag / _struct_ref_seq_dif.details

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4v4k.cif.gz	4.7 MB	Display	PDBx/mmCIF format
PDB format	pdb4v4k.ent.gz		Display	PDB format
PDBx/mmJSON format	4v4k.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/v4/4v4k ftp://data.pdbj.org/pub/pdb/validation_reports/v4/4v4k	HTTPS FTP

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Related structure data

Related structure data	3lj5C C: citing same article (ref.)
Similar structure data	1545 6emw-d 6miz-d 2947 9134 8319 Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

M: PORTAL PROTEIN

N: PORTAL PROTEIN

O: PORTAL PROTEIN

P: PORTAL PROTEIN

Q: PORTAL PROTEIN

R: PORTAL PROTEIN

S: PORTAL PROTEIN

T: PORTAL PROTEIN

U: PORTAL PROTEIN

V: PORTAL PROTEIN

W: PORTAL PROTEIN

X: PORTAL PROTEIN

k: PACKAGED DNA STABILIZATION PROTEIN GP4

l: PACKAGED DNA STABILIZATION PROTEIN GP4

m: PACKAGED DNA STABILIZATION PROTEIN GP4

n: PACKAGED DNA STABILIZATION PROTEIN GP4

o: PACKAGED DNA STABILIZATION PROTEIN GP4

p: PACKAGED DNA STABILIZATION PROTEIN GP4

q: PACKAGED DNA STABILIZATION PROTEIN GP4

r: PACKAGED DNA STABILIZATION PROTEIN GP4

s: PACKAGED DNA STABILIZATION PROTEIN GP4

t: PACKAGED DNA STABILIZATION PROTEIN GP4

u: PACKAGED DNA STABILIZATION PROTEIN GP4

v: PACKAGED DNA STABILIZATION PROTEIN GP4

A: PORTAL PROTEIN

B: PORTAL PROTEIN

C: PORTAL PROTEIN

D: PORTAL PROTEIN

E: PORTAL PROTEIN

F: PORTAL PROTEIN

G: PORTAL PROTEIN

H: PORTAL PROTEIN

I: PORTAL PROTEIN

J: PORTAL PROTEIN

K: PORTAL PROTEIN

L: PORTAL PROTEIN

Y: PACKAGED DNA STABILIZATION PROTEIN GP4

Z: PACKAGED DNA STABILIZATION PROTEIN GP4

a: PACKAGED DNA STABILIZATION PROTEIN GP4

b: PACKAGED DNA STABILIZATION PROTEIN GP4

c: PACKAGED DNA STABILIZATION PROTEIN GP4

d: PACKAGED DNA STABILIZATION PROTEIN GP4

e: PACKAGED DNA STABILIZATION PROTEIN GP4

f: PACKAGED DNA STABILIZATION PROTEIN GP4

g: PACKAGED DNA STABILIZATION PROTEIN GP4

h: PACKAGED DNA STABILIZATION PROTEIN GP4

i: PACKAGED DNA STABILIZATION PROTEIN GP4

j: PACKAGED DNA STABILIZATION PROTEIN GP4

2.11 MDa, 48 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

M: PORTAL PROTEIN

N: PORTAL PROTEIN

O: PORTAL PROTEIN

P: PORTAL PROTEIN

Q: PORTAL PROTEIN

R: PORTAL PROTEIN

S: PORTAL PROTEIN

T: PORTAL PROTEIN

U: PORTAL PROTEIN

V: PORTAL PROTEIN

W: PORTAL PROTEIN

X: PORTAL PROTEIN

k: PACKAGED DNA STABILIZATION PROTEIN GP4

l: PACKAGED DNA STABILIZATION PROTEIN GP4

m: PACKAGED DNA STABILIZATION PROTEIN GP4

n: PACKAGED DNA STABILIZATION PROTEIN GP4

o: PACKAGED DNA STABILIZATION PROTEIN GP4

p: PACKAGED DNA STABILIZATION PROTEIN GP4

q: PACKAGED DNA STABILIZATION PROTEIN GP4

r: PACKAGED DNA STABILIZATION PROTEIN GP4

s: PACKAGED DNA STABILIZATION PROTEIN GP4

t: PACKAGED DNA STABILIZATION PROTEIN GP4

u: PACKAGED DNA STABILIZATION PROTEIN GP4

v: PACKAGED DNA STABILIZATION PROTEIN GP4

defined by author&software
1.06 MDa, 24 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

A: PORTAL PROTEIN

B: PORTAL PROTEIN

C: PORTAL PROTEIN

D: PORTAL PROTEIN

E: PORTAL PROTEIN

F: PORTAL PROTEIN

G: PORTAL PROTEIN

H: PORTAL PROTEIN

I: PORTAL PROTEIN

J: PORTAL PROTEIN

K: PORTAL PROTEIN

L: PORTAL PROTEIN

Y: PACKAGED DNA STABILIZATION PROTEIN GP4

Z: PACKAGED DNA STABILIZATION PROTEIN GP4

a: PACKAGED DNA STABILIZATION PROTEIN GP4

b: PACKAGED DNA STABILIZATION PROTEIN GP4

c: PACKAGED DNA STABILIZATION PROTEIN GP4

d: PACKAGED DNA STABILIZATION PROTEIN GP4

e: PACKAGED DNA STABILIZATION PROTEIN GP4

f: PACKAGED DNA STABILIZATION PROTEIN GP4

g: PACKAGED DNA STABILIZATION PROTEIN GP4

h: PACKAGED DNA STABILIZATION PROTEIN GP4

i: PACKAGED DNA STABILIZATION PROTEIN GP4

j: PACKAGED DNA STABILIZATION PROTEIN GP4

defined by author&software
1.06 MDa, 24 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	170.172, 253.284, 282.730
Angle α, β, γ (deg.)	90.00, 90.68, 90.00
Int Tables number	4
Space group name H-M	P12₁1

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:
NCS ensembles :

ID
1
2

#1: Protein	... PORTAL PROTEIN / PROTEIN GP1 Mass: 70015.430 Da / Num. of mol.: 24 / Fragment: UNP RESIDUES 1-602 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ENTEROBACTERIA PHAGE P22 (virus) / Gene: 1, GP1 / Plasmid: PET-22 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 / References: UniProt: P26744
#2: Protein	... PACKAGED DNA STABILIZATION PROTEIN GP4 Mass: 18070.996 Da / Num. of mol.: 24 / Fragment: UNP RESIDUES 1-166 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) ENTEROBACTERIA PHAGE P22 (virus) / Gene: 4, GP4 / Plasmid: PET-15B / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 / References: UniProt: P26746
#3: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 516 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.87 Å³/Da / Density % sol: 57.18 %
Crystal grow	pH: 6 Details: 20% PEG 8000, 0.1M (NH4)2HPO4, 0.1M MES, PH 6.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: CHESS / Beamline: A1 / Wavelength: 0.987
Detector	Type: ADSC QUANTUM 210 / Detector: CCD / Date: May 1, 2006
Radiation	Monochromator: ASYMMETRIC CUT SI(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.987 Å / Relative weight: 1
Reflection	Resolution: 3.25→100 Å / Num. obs: 484105 / % possible obs: 92.2 % / Observed criterion σ(I): 1 / Redundancy: 2.9 % / R_sym value: 0.149 / Net I/σ(I): 8.7
Reflection shell	Resolution: 3.25→3.37 Å / Redundancy: 2.2 % / Mean I/σ(I) obs: 1.6 / R_sym value: 0.573 / % possible all: 73.6

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Processing

Software

Name	Version	Classification
PHASER		phasing
DM		model building
PHENIX	(PHENIX.REFINE: 1.5_2)	refinement
HKL-2000		data reduction
HKL-2000		data scaling
DM		phasing

Refinement

Resolution: 3.251→19.991 Å / SU ML: 0.33 / σ(F): 0 / Phase error: 24.11 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2365	2341	53 %
R_work	0.2223	-	-
obs	0.2224	441596	59.74 %

Solvent computation

Shrinkage radii: 0.83 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / B_sol: 36.697 Å² / k_sol: 0.268 e/Å³

Displacement parameters

	B_aniso -1	B_aniso -2	B_aniso -3
1-	4.6698 Å²	0 Å²	2.4346 Å²
2-	-	0.0724 Å²	-0 Å²
3-	-	-	-9.2017 Å²

Refinement step

Cycle: LAST / Resolution: 3.251→19.991 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	67392	0	0	252	67644

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.006	137592
X-RAY DIFFRACTION	f_angle_d	0.972	186744
X-RAY DIFFRACTION	f_dihedral_angle_d	22.546	84984
X-RAY DIFFRACTION	f_chiral_restr	0.07	20208
X-RAY DIFFRACTION	f_plane_restr	0.004	24840

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Number	Refine-ID	Type	Rms dev position (Å)
1	1	A	4585	X-RAY DIFFRACTION	POSITIONAL
1	2	B	4585	X-RAY DIFFRACTION	POSITIONAL	0.022
1	3	C	4585	X-RAY DIFFRACTION	POSITIONAL	0.023
1	4	D	4585	X-RAY DIFFRACTION	POSITIONAL	0.024
1	5	E	4585	X-RAY DIFFRACTION	POSITIONAL	0.024
1	6	F	4585	X-RAY DIFFRACTION	POSITIONAL	0.023
1	7	G	4585	X-RAY DIFFRACTION	POSITIONAL	0.023
1	8	H	4585	X-RAY DIFFRACTION	POSITIONAL	0.023
1	9	I	4585	X-RAY DIFFRACTION	POSITIONAL	0.024
1	10	J	4585	X-RAY DIFFRACTION	POSITIONAL	0.025
1	11	K	4585	X-RAY DIFFRACTION	POSITIONAL	0.024
1	12	L	4585	X-RAY DIFFRACTION	POSITIONAL	0.023
1	13	M	4585	X-RAY DIFFRACTION	POSITIONAL	0.023
1	14	N	4585	X-RAY DIFFRACTION	POSITIONAL	0.024
1	15	O	4585	X-RAY DIFFRACTION	POSITIONAL	0.024
1	16	P	4585	X-RAY DIFFRACTION	POSITIONAL	0.024
1	17	Q	4585	X-RAY DIFFRACTION	POSITIONAL	0.025
1	18	R	4585	X-RAY DIFFRACTION	POSITIONAL	0.023
1	19	S	4585	X-RAY DIFFRACTION	POSITIONAL	0.024
1	20	T	4585	X-RAY DIFFRACTION	POSITIONAL	0.024
1	21	U	4585	X-RAY DIFFRACTION	POSITIONAL	0.024
1	22	V	4585	X-RAY DIFFRACTION	POSITIONAL	0.024
1	23	W	4585	X-RAY DIFFRACTION	POSITIONAL	0.025
1	24	X	4585	X-RAY DIFFRACTION	POSITIONAL	0.023
2	1	Y	1052	X-RAY DIFFRACTION	POSITIONAL
2	2	Z	1052	X-RAY DIFFRACTION	POSITIONAL	0.02
2	3	A	1052	X-RAY DIFFRACTION	POSITIONAL	0.022
2	4	B	1052	X-RAY DIFFRACTION	POSITIONAL	0.022
2	5	C	1052	X-RAY DIFFRACTION	POSITIONAL	0.023
2	6	D	1052	X-RAY DIFFRACTION	POSITIONAL	0.023
2	7	E	1052	X-RAY DIFFRACTION	POSITIONAL	0.023
2	8	F	1052	X-RAY DIFFRACTION	POSITIONAL	0.023
2	9	G	1052	X-RAY DIFFRACTION	POSITIONAL	0.027
2	10	H	1052	X-RAY DIFFRACTION	POSITIONAL	0.023
2	11	I	1052	X-RAY DIFFRACTION	POSITIONAL	0.024
2	12	J	1052	X-RAY DIFFRACTION	POSITIONAL	0.021
2	13	k	1052	X-RAY DIFFRACTION	POSITIONAL	0.023
2	14	l	1052	X-RAY DIFFRACTION	POSITIONAL	0.023
2	15	m	1052	X-RAY DIFFRACTION	POSITIONAL	0.023
2	16	n	1052	X-RAY DIFFRACTION	POSITIONAL	0.025
2	17	o	1052	X-RAY DIFFRACTION	POSITIONAL	0.024
2	18	p	1052	X-RAY DIFFRACTION	POSITIONAL	0.023
2	19	q	1052	X-RAY DIFFRACTION	POSITIONAL	0.023
2	20	r	1052	X-RAY DIFFRACTION	POSITIONAL	0.025
2	21	s	1052	X-RAY DIFFRACTION	POSITIONAL	0.022
2	22	t	1052	X-RAY DIFFRACTION	POSITIONAL	0.024
2	23	u	1052	X-RAY DIFFRACTION	POSITIONAL	0.024
2	24	v	1052	X-RAY DIFFRACTION	POSITIONAL	0.023

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
3.251-3.3176	0.3744	50	0.3936	11304	X-RAY DIFFRACTION	26
3.3176-3.3894	0.3613	76	0.3661	15308	X-RAY DIFFRACTION	35
3.3894-3.4678	0.3578	89	0.3504	16873	X-RAY DIFFRACTION	39
3.4678-3.5541	0.2977	113	0.331	18513	X-RAY DIFFRACTION	43
3.5541-3.6496	0.358	99	0.306	20351	X-RAY DIFFRACTION	47
3.6496-3.7563	0.3295	105	0.2781	22650	X-RAY DIFFRACTION	52
3.7563-3.8767	0.2875	126	0.248	24014	X-RAY DIFFRACTION	55
3.8767-4.0142	0.294	129	0.2218	25116	X-RAY DIFFRACTION	58
4.0142-4.1735	0.2364	181	0.2074	26563	X-RAY DIFFRACTION	61
4.1735-4.3616	0.1823	180	0.1835	27908	X-RAY DIFFRACTION	64
4.3616-4.5889	0.1505	119	0.1663	29085	X-RAY DIFFRACTION	67
4.5889-4.8725	0.1851	155	0.1733	30086	X-RAY DIFFRACTION	69
4.8725-5.2425	0.2304	129	0.1943	31130	X-RAY DIFFRACTION	72
5.2425-5.7586	0.209	149	0.2045	33393	X-RAY DIFFRACTION	77
5.7586-6.5659	0.2586	260	0.2114	35321	X-RAY DIFFRACTION	82
6.5659-8.177	0.2012	232	0.2083	35878	X-RAY DIFFRACTION	83
8.177-19.991	0.2094	149	0.216	35762	X-RAY DIFFRACTION	83

Refinement TLS params.

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

ID	L11 (°²)	L12 (°²)	L13 (°²)	L22 (°²)	L23 (°²)	L33 (°²)	S11 (Å °)	S12 (Å °)	S13 (Å °)	S21 (Å °)	S22 (Å °)	S23 (Å °)	S31 (Å °)	S32 (Å °)	S33 (Å °)	T11 (Å²)	T12 (Å²)	T13 (Å²)	T22 (Å²)	T23 (Å²)	T33 (Å²)	Origin x (Å)	Origin y (Å)	Origin z (Å)
1	0.0071	-0.0049	-0.0234	-0.0116	0.0293	-0.036	0.0526	-0.0228	-0.0519	0.189	-0.053	0.083	0.0492	-0.0024	0	-0.2895	0.3181	-0.0983	-0.0744	0.1314	0.0393	57.4481	-50.4482	130.0939
2	0.0246	0.0184	-0.0141	0.0549	-0.021	0.0153	-0.0331	0.0169	-0.1293	0.0564	-0.0247	0.1055	0.0558	-0.0095	0	0.0295	0.0759	0.0084	0.0578	0.0232	0.0771	34.6387	-54.8561	119.2555
3	-0.0284	0.0103	-0.0702	-0.0179	0.0675	-0.0474	-0.0427	-0.0984	-0.0834	0.0417	-0.0463	0.0648	-0.0206	-0.0256	-0	0.0677	-0.0014	0.0372	0.0433	-0.0275	0.0574	12.8447	-46.0138	108.9133
4	0.0603	0.0325	-0.0037	-0.0081	0.0141	-0.0066	-0.0349	0.0002	-0.0762	-0.1035	-0.0733	-0.1288	-0.02	0.126	0	-0.1431	0.1051	-0.1224	0.0519	-0.0152	-0.2461	-5.9346	-1.082	100.1329
5	-0.0066	0.0083	-0.0155	-0.0143	0.0278	-0.0011	-0.0276	-0.0929	-0.1474	0.0282	-0.036	0.1002	-0.0035	-0.0287	-0	-0.0052	0.0366	-0.0042	0.0095	-0.0695	-0.0201	-2.0689	-26.3661	101.9011
6	0.0071	0.04	0.0132	-0.0063	-0.0074	0.0089	-0.0432	-0.0193	0.023	-0.0668	-0.0119	-0.0775	-0.0326	0.0248	0	0.076	0.0207	-0.0397	0.0827	0.0039	-0.0834	2.1138	22.9917	103.9586
7	0.0019	-0.0479	-0.0048	-0.0207	0.0034	0.0107	0.0064	-0.0194	-0.0159	-0.0485	-0.0122	-0.0783	-0.0225	0.0267	0	0.1453	0.027	0.0176	0.0745	0.0274	0.0513	19.9691	39.3001	112.4591
8	0.0046	-0.0013	-0.03	0.0061	-0.0136	0.0079	-0.0014	-0.0358	0.1122	-0.0478	0.0479	-0.2162	-0.0263	0.0991	-0	0.0609	-0.0681	0.0649	0.0007	0.0933	-0.0185	42.8189	43.6147	123.3638
9	0.044	-0.0276	-0.0114	0.0121	0.0163	-0.0052	-0.0386	-0.0598	0.0845	-0.0262	0.0381	-0.1952	0.0513	0.109	0	-0.0371	-0.1531	0.0637	0.0019	0.0103	0.13	64.5075	34.6715	133.7274
10	0.0287	-0.0714	0.0092	0.0218	-0.0138	0.0306	-0.0395	-0.0819	0.0663	-0.0132	0.0158	-0.3008	0.0064	0.0744	-0	-0.0289	-0.0451	0.006	0.1513	-0.0126	0.1826	79.3934	15.0712	140.8594
11	0.0196	-0.0342	0.0217	0.0546	0.0396	0.0302	-0.0355	-0.0614	0.0036	0.0648	0.0811	-0.2247	0.0179	0.0585	0	-0.1795	0.0291	-0.0582	0.1762	0.009	0.1026	83.3745	-10.1701	142.6925
12	-0.0037	-0.069	-0.0101	-0.0989	-0.099	0.0015	-0.0143	0.0868	-0.1053	-0.0758	0.1414	-0.3069	-0.0174	0.063	-0	-0.2822	0.2342	-0.2115	0.0091	0.1302	-0.1308	75.3122	-34.1388	138.6938
13	-0.1211	-0.0385	-0.0937	-0.0653	-0.1153	-0.0512	0.0745	0.0778	-0.0148	-0.0627	0.1313	-0.1116	-0.0648	0.122	-0	-0.0031	0.1474	0.0239	-0.6149	0.2139	-0.1561	-30.8188	53.0287	-13.4716
14	-0.3109	-0.2079	-0.1019	-0.1776	-0.125	-0.0523	-0.0786	0.1392	0.2988	-0.0648	0.0676	0.0088	-0.1444	-0.0277	0	-0.291	0.3944	0.1274	-0.6061	0.4448	-0.7648	-54.0168	54.3948	-24.3605
15	-0.1871	0.121	-0.0983	-0.0505	-0.0466	-0.0755	0.1013	-0.0017	-0.0135	-0.0981	0.0647	-0.0804	0.0253	-0.0067	-0	-0.094	-0.1736	0.0647	-0.6958	-0.0815	-0.02	-11.3978	38.9898	-4.1923
16	-0.0776	0.0918	-0.0229	-0.067	0.0436	0.0001	0.02	-0.0415	0.0226	-0.1458	-0.0964	-0.2365	0.0193	0.0209	0	-0.3559	-0.3478	-0.0476	-0.3547	-0.0946	-0.0061	-0.8605	16.2967	1.0154
17	-0.0099	-0.0148	0.0353	-0.1055	-0.0625	0.0041	-0.0281	0.0323	-0.0994	-0.2853	0.0785	-0.2639	-0.008	-0.0731	-0	-0.3411	0.1996	-0.0614	-0.2062	0.0232	-0.0077	-2.1918	-9.2802	0.5759
18	-0.0196	-0.011	0.0541	-0.019	-0.0145	0.0334	-0.0654	0.1164	-0.0566	-0.1862	0.0867	-0.0652	0.0112	-0.0897	0	-0.1259	0.1544	0.0568	-0.2574	-0.0248	0.0193	-15.0295	-30.6218	-5.3937
19	-0.047	-0.0026	-0.0077	-0.0387	0.0385	-0.0234	-0.1528	-0.1191	0.1191	-0.1503	-0.0628	-0.0221	-0.0044	-0.1501	-0	-0.1282	-0.2213	0.035	-0.1888	0.2172	-0.61	-78.4536	-26.8972	-35.2946
20	-0.0825	-0.0796	0.0591	-0.0987	0.0787	-0.0114	-0.1561	0.0151	-0.0847	-0.2426	0.0132	-0.1086	0.0323	-0.0515	-0	-0.2097	0.0099	-0.3307	0.0849	0.0839	-0.5596	-89.0244	-4.1025	-40.2463
21	-0.0732	-0.0075	-0.0433	0.0116	0.0329	-0.024	0.0099	0.0605	0.0046	-0.1018	0.0199	-0.0252	-0.0315	-0.1608	-0	-0.1427	-0.3031	0.0985	-0.2556	0.1079	-0.3609	-58.9173	-40.8433	-26.0658
22	-0.1851	-0.2455	-0.0445	-0.1629	-0.019	-0.0247	-0.2003	0.2358	0.0569	-0.2556	0.1653	-0.0097	-0.1165	-0.0964	0	-0.22	0.4135	-0.3229	-0.2969	0.4933	-0.6649	-74.9039	42.967	-34.0027
23	-0.0354	-0.0296	0.0055	-0.1098	0.0215	-0.009	-0.0418	0.0008	-0.0131	-0.1426	0.0318	-0.0669	0.0237	-0.0303	-0	-0.1934	0.1295	-0.3303	0.042	0.1941	-0.6125	-87.7171	21.5386	-39.7915
24	-0.0225	-0.0062	-0.024	-0.0101	0.0546	-0.0313	-0.0141	0.1374	-0.1452	-0.1348	0.0485	-0.0429	0.0952	-0.0269	-0	-0.0724	-0.0983	0.0648	-0.2351	0.0079	-0.1496	-35.7725	-42.2195	-15.103
25	-0.002	-0.0013	-0.003	-0.0055	-0.0054	0.0021	0.0104	-0.0026	-0.0419	0.0678	-0.0086	0.0338	-0.0101	-0.0102	0	0.235	-0.0249	0.0684	0.1111	0.2246	0.1613	9.9339	-47.8147	188.1818
26	0.0012	-0.0072	-0.0007	-0.0025	-0.0109	0.0038	0.0282	0.0181	-0.0474	0.0386	-0.0239	0.0341	0.0052	-0.0039	0	0.187	-0.0609	0.1807	0.162	0.1567	0.1924	-9.3149	-43.4565	179.0593
27	-0.0032	0.0023	-0.0072	-0.0107	-0.0043	-0.001	0.0209	-0.0163	-0.0419	0.0405	-0.02	0.0489	0.0061	-0.0038	0	0.1077	-0.0497	0.2759	0.1689	0.1223	0.2028	-24.0968	-29.1982	172.0386
28	0.0075	-0.0013	-0.0012	-0.0122	-0.0007	0.0021	0.0154	-0.0051	-0.038	0.0459	-0.0258	0.073	0.0094	0.0011	0	0.049	-0.0021	0.188	0.1661	0.0104	0.2368	-30.4766	-8.6405	169.0864
29	-0.0017	0.0009	-0.0081	0.0026	0.0006	-0.0012	-0.0835	-0.006	-0.0192	-0.0266	-0.0348	0.064	-0.0175	0.003	-0	0.0543	0.1175	0.0358	0.0013	-0.1009	0.0842	-13.629	28.8652	177.2219
30	0.0118	0.0082	0.0097	0.0078	0.0048	0.0051	-0.0355	-0.0089	-0.0074	0.0121	0.0032	-0.0279	-0.0175	0.0275	-0	0.0919	0.0501	-0.0278	0.076	-0.1119	0.0937	4.9408	35.8791	186.0765
31	0.0108	-0.0038	0.0047	-0.002	-0.0022	0.0023	-0.0222	0.0259	-0.0365	0.0169	-0.0365	0.0515	0.0048	0.0267	-0	-0.0116	0.1429	0.1836	0.0671	-0.0873	0.1248	-26.6333	12.6608	170.9972
32	0.0131	0.0067	0.0127	-0.0159	0.0081	0.0055	-0.0375	0.0255	-0.0159	0.0232	0.0175	0.0118	-0.0192	0.0213	-0	0.0791	0.0802	-0.2082	0.1708	-0.0909	0.0156	24.1381	31.7762	195.1996
33	0.0024	0.003	0.006	-0.0109	-0.0022	0.0026	-0.014	0.0184	-0.0212	0.0032	-0.0375	0.037	0.0115	-0.0045	-0	0.1013	0.0729	-0.2731	0.1565	-0.1016	-0.0984	38.7961	17.4813	202.1824
34	-0.0077	-0.0045	-0.0044	0.012	0.002	0.0025	-0.0112	-0.0328	-0.0238	0.0318	-0.0128	-0.0249	-0.0002	-0.0068	0	0.3016	0.0847	-0.0707	0.1851	0.0882	0.1198	41.3117	-24.5449	203.2811
35	-0.0001	-0.0225	0.0016	-0.0008	-0.0063	0.0012	-0.0271	-0.0022	0.0049	0.0102	-0.0462	-0.0295	-0.0064	-0.0022	0	0.1926	0.1529	-0.2063	0.1615	0.0513	-0.022	45.0276	-3.1721	205.1472
36	-0.0072	-0.004	-0.0051	0.003	-0.0042	0.0042	-0.003	-0.0364	-0.0412	0.0543	0.0312	-0.0015	-0.0156	-0.0221	0	0.2996	0.0194	-0.0161	0.1424	0.2011	0.1596	28.4517	-40.8929	197.0785
37	-0.0043	-0.0028	-0.005	0.0056	-0.001	-0.0027	-0.0276	-0.0091	-0.0094	-0.0269	0.0231	-0.0362	-0.046	0.0032	0	0.0724	0.2174	-0.0702	-0.0267	-0.0163	0.0681	-69.7394	48.0571	48.8784
38	-0.004	-0.0136	0.001	-0.0079	-0.0016	-0.0007	-0.0038	0.0324	0.003	-0.0603	-0.0164	-0.0935	-0.0205	0.0086	0	-0.0361	0.1313	-0.2642	-0.0807	-0.0599	-0.1559	-40.4884	21.6249	62.8722
39	-0.0031	-0.0055	-0.0064	0.0132	0.0013	-0.0024	-0.0347	0.0408	0.0192	-0.0438	-0.0096	-0.0435	-0.0446	0.0111	-0	0.0986	0.2219	-0.0919	-0.037	-0.1252	0.0043	-51.8418	39.2712	57.4035
40	-0.0038	-0.0075	0.0111	-0.0167	0.0004	0.0027	-0.0445	0.053	0.0002	-0.0045	-0.0469	-0.0448	-0.0202	-0.0035	-0	-0.0919	0.0449	-0.3273	-0.0171	0.0476	-0.1528	-38.6435	-0.0008	63.9174
41	-0.0144	-0.008	-0.0063	-0.0187	-0.0031	-0.0012	-0.0496	-0.0205	0.0014	-0.0115	-0.0489	-0.0547	0.0048	-0.0211	0	-0.0698	-0.0022	-0.2708	-0.0944	0.1364	-0.2247	-46.583	-19.8712	60.2516
42	-0.0025	-0.007	-0.0028	0.0054	-0.0065	0.001	0.0098	0.0051	-0.0277	-0.016	-0.0243	-0.061	-0.0042	0.0067	-0	0.0407	-0.0971	-0.0195	-0.0464	0.1638	-0.0443	-62.4611	-32.6235	52.8192
43	0.0026	0.0054	0.0036	-0.0073	-0.0037	0.0013	0.0208	0.0433	-0.0312	-0.0281	0.0045	0.0283	-0.0049	0.0108	0	-0.0975	-0.1881	0.0835	0.0229	0.1422	0.0035	-99.9076	-25.7827	35.2124
44	-0.0014	0.0086	-0.0081	-0.0051	0.0013	-0.0006	0.0212	0.0413	-0.0381	0.0034	-0.0149	-0.0076	0.0087	0.0173	0	-0.0408	-0.2422	0.0822	-0.0399	0.1943	0.0238	-82.0037	-34.6658	43.6208
45	0.0049	-0.0106	0	-0.0069	-0.0027	0.0017	-0.0171	-0.0016	-0.0237	0.0137	-0.0387	0.0387	0.0012	0.0112	0	-0.1369	0.0777	0.1316	0.1143	-0.0095	0.1361	-113.4117	13.3167	28.5277
46	0.011	-0.0009	0.0058	-0.0185	-0.0013	0.0011	-0.0106	0.0425	0.0085	0.01	-0.0318	0.0564	-0.0179	0.0131	-0	-0.113	-0.0343	0.1459	0.0767	0.1313	0.0783	-111.4539	-8.3236	29.6491
47	0.0166	-0.0143	0.0026	0.0046	-0.0069	0.0001	-0.0437	0.0097	-0.0098	-0.0282	-0.0299	0.0195	-0	0.0159	0	-0.063	0.2043	0.0411	0.0782	0.025	0.0563	-105.258	33.0783	32.2054
48	0.0059	-0.0072	-0.0056	0.0113	0.0043	-0.0028	-0.0757	0.0276	-0.0248	-0.0332	0.0141	-0.0065	-0.0439	0.0311	-0	-0.0218	0.2691	0.0423	-0.0787	-0.026	0.0148	-89.2565	45.7588	39.6865

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain A
2	X-RAY DIFFRACTION	2	chain B
3	X-RAY DIFFRACTION	3	chain C
4	X-RAY DIFFRACTION	4	chain D
5	X-RAY DIFFRACTION	5	chain E
6	X-RAY DIFFRACTION	6	chain F
7	X-RAY DIFFRACTION	7	chain G
8	X-RAY DIFFRACTION	8	chain H
9	X-RAY DIFFRACTION	9	chain I
10	X-RAY DIFFRACTION	10	chain J
11	X-RAY DIFFRACTION	11	chain K
12	X-RAY DIFFRACTION	12	chain L
13	X-RAY DIFFRACTION	13	chain M
14	X-RAY DIFFRACTION	14	chain N
15	X-RAY DIFFRACTION	15	chain O
16	X-RAY DIFFRACTION	16	chain P
17	X-RAY DIFFRACTION	17	chain Q
18	X-RAY DIFFRACTION	18	chain R
19	X-RAY DIFFRACTION	19	chain S
20	X-RAY DIFFRACTION	20	chain T
21	X-RAY DIFFRACTION	21	chain U
22	X-RAY DIFFRACTION	22	chain V
23	X-RAY DIFFRACTION	23	chain W
24	X-RAY DIFFRACTION	24	chain X
25	X-RAY DIFFRACTION	25	chain Y
26	X-RAY DIFFRACTION	26	chain Z
27	X-RAY DIFFRACTION	27	chain a
28	X-RAY DIFFRACTION	28	chain b
29	X-RAY DIFFRACTION	29	chain c
30	X-RAY DIFFRACTION	30	chain d
31	X-RAY DIFFRACTION	31	chain e
32	X-RAY DIFFRACTION	32	chain f
33	X-RAY DIFFRACTION	33	chain g
34	X-RAY DIFFRACTION	34	chain h
35	X-RAY DIFFRACTION	35	chain i
36	X-RAY DIFFRACTION	36	chain j
37	X-RAY DIFFRACTION	37	chain k
38	X-RAY DIFFRACTION	38	chain l
39	X-RAY DIFFRACTION	39	chain m
40	X-RAY DIFFRACTION	40	chain n
41	X-RAY DIFFRACTION	41	chain o
42	X-RAY DIFFRACTION	42	chain p
43	X-RAY DIFFRACTION	43	chain q
44	X-RAY DIFFRACTION	44	chain r
45	X-RAY DIFFRACTION	45	chain s
46	X-RAY DIFFRACTION	46	chain t
47	X-RAY DIFFRACTION	47	chain u
48	X-RAY DIFFRACTION	48	chain v

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