PDB-4p1v: Structure of the P domain from a GI.7 Norovirus variant in comple...

ID or keywords:

Entry

Database: PDB / ID: 4p1v

Title

Structure of the P domain from a GI.7 Norovirus variant in complex with H-type 2 HBGA

Components

P domain of VPI

Keywords

VIRAL PROTEIN / P domain /

Capsid protein /

Norovirus /

HBGA / H-type2 / Secretor

Function / homology

Function and homology information

Positive stranded ssRNA viruses / Nucleoplasmin-like/VP (viral coat and capsid proteins) / Positive stranded ssRNA viruses / Calicivirus coat protein C-terminal / Calicivirus coat protein C-terminal / Calicivirus coat protein / Calicivirus coat protein / Elongation Factor Tu (Ef-tu); domain 3 /

Viral coat protein subunit /

Beta Barrel / Mainly Beta
Similarity search - Domain/homology

Biological species

Norovirus Hu/GI.7/TCH-060/USA/2003

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.5497 Å

Authors

Shanker, S. / Czako, R. / Sankaran, B. / Atmar, R. / Estes, M. / Prasad, B.V.V.

Citation

Journal: J.Virol. / Year: 2014
Title: Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.
Authors: Shanker, S. / Czako, R. / Sankaran, B. / Atmar, R.L. / Estes, M.K. / Prasad, B.V.

History

Deposition	Feb 27, 2014	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Apr 2, 2014	Provider: repository / Type: Initial release
Revision 1.1	May 21, 2014	Group: Database references
Revision 2.0	Nov 1, 2017	Group: Atomic model / Author supporting evidence ...Atomic model / Author supporting evidence / Database references / Derived calculations / Other / Source and taxonomy / Structure summary Category: atom_site / citation ...atom_site / citation / entity / entity_src_gen / pdbx_database_status / pdbx_struct_assembly / pdbx_struct_assembly_auth_evidence / pdbx_struct_assembly_gen / pdbx_struct_assembly_prop / pdbx_struct_oper_list / struct_conn / struct_site_gen Item: _atom_site.label_asym_id / _atom_site.label_entity_id ..._atom_site.label_asym_id / _atom_site.label_entity_id / _citation.journal_id_CSD / _entity_src_gen.pdbx_alt_source_flag / _pdbx_database_status.pdb_format_compatible / _pdbx_struct_assembly.oligomeric_details / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_struct_assembly_prop.type / _pdbx_struct_assembly_prop.value / _pdbx_struct_oper_list.symmetry_operation / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr2_label_asym_id / _struct_site_gen.label_asym_id
Revision 3.0	Jul 29, 2020	Group: Atomic model / Data collection ...Atomic model / Data collection / Derived calculations / Refinement description / Structure summary Category: atom_site / chem_comp ...atom_site / chem_comp / entity / entity_name_com / pdbx_branch_scheme / pdbx_chem_comp_identifier / pdbx_entity_branch / pdbx_entity_branch_descriptor / pdbx_entity_branch_link / pdbx_entity_branch_list / pdbx_entity_nonpoly / pdbx_molecule_features / pdbx_nonpoly_scheme / pdbx_struct_assembly_gen / refine_hist / struct_asym / struct_conn / struct_site / struct_site_gen Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_asym_id / _atom_site.auth_atom_id / _atom_site.auth_comp_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.label_entity_id / _atom_site.type_symbol / _chem_comp.name / _chem_comp.type / _pdbx_struct_assembly_gen.asym_id_list / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.pdbx_value_order / _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.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 Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 3.1	Sep 27, 2023	Group: Data collection / Database references ...Data collection / Database references / Refinement description / Structure summary Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4p1v.cif.gz	471.1 KB	Display	PDBx/mmCIF format
PDB format	pdb4p1v.ent.gz	384.4 KB	Display	PDB format
PDBx/mmJSON format	4p1v.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/p1/4p1v ftp://data.pdbj.org/pub/pdb/validation_reports/p1/4p1v	HTTPS FTP

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Related structure data

Related structure data	4p12SC 4p25C 4p26C 4p2nC 4p3iC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	4p2n-2 4p2n-1 3by2-2 4p3i-1 4p12-1 4p3i-2 2zl7-d 2zl5-d 4p25-2 5n7m-d 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 - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#156 - Dec 2012 ABO Blood Type Glycosyltransferases similarity (4)

Deposited unit

A: P domain of VPI

B: P domain of VPI

C: P domain of VPI

D: P domain of VPI

hetero molecules

133 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: P domain of VPI

B: P domain of VPI

hetero molecules

defined by author&software
Evidence: gel filtration
66.3 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: P domain of VPI

D: P domain of VPI

hetero molecules

defined by author&software
Evidence: gel filtration
66.3 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	62.398, 63.150, 90.320
Angle α, β, γ (deg.)	72.71, 82.24, 60.75
Int Tables number	1
Space group name H-M	P1

Details

Oligomeric state confirmed by gel filtration

#1: Protein

P domain of VPI

Mass: 32617.451 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Norovirus Hu/GI.7/TCH-060/USA/2003 / Production host:

Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: G8FL04

#2: Polysaccharide

alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose / H type 2 antigen / beta anomer

Type: oligosaccharide

, Oligosaccharide

/ Class: Antigen

/ Mass: 529.490 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Details: oligosaccharide / References: H type 2 antigen, beta anomer

Descriptor	Type	Program
LFucpa1-2DGalpb1-4DGlcpNAcb1-ROH	Glycam Condensed Sequence	GMML 1.0
WURCS=2.0/3,3,2/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-3/a4-b1_b2-c1	WURCS	PDB2Glycan 1.1.0
[][b-D-GlcpNAc]{[(4+1)][b-D-Galp]{[(2+1)][a-L-Fucp]{}}}	LINUCS	PDB-CARE

#3: Water

ChemComp-HOH / water /

Water

Mass: 18.015 Da / Num. of mol.: 1525 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

Experiment	Method: X-RAY DIFFRACTION

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Sample preparation

Crystal	Density Matthews: 2.27 Å³/Da / Density % sol: 45.87 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 0.2M Sodium Formate 0.1M Bis Tris Propane 20% PEG3350

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Data collection

Diffraction	Mean temperature: 77 K
Diffraction source	Source: SYNCHROTRON / Site: ALS / Beamline: 5.0.1 / Wavelength: 0.97935 Å
Detector	Type: ADSC QUANTUM 315r / Detector: CCD / Date: Dec 17, 2012
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray / Wavelength: 0.97935 Å
Radiation wavelength	Wavelength: 0.97935 Å / Relative weight: 1
Reflection	Resolution: 1.5497→40 Å / Num. obs: 161305 / % possible obs: 97 % / Redundancy: 3.7 % / Net I/σ(I): 14.6

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Processing

Software

Name: PHENIX / Version: (phenix.refine: 1.8.1_1168) / Classification: refinement

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 4P12

4p12

Resolution: 1.5497→38.954 Å / SU ML: 0.12 / Cross valid method: FREE R-VALUE / σ(F): 1.98 / Phase error: 16.63 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.1727	8107	5.03 %	Random
R_work	0.1542	-	-	-
obs	0.1551	161281	96.69 %	-

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL

Refinement step

Cycle: LAST / Resolution: 1.5497→38.954 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	8764	0	144	1525	10433

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.012	9193
X-RAY DIFFRACTION	f_angle_d	1.478	12598
X-RAY DIFFRACTION	f_dihedral_angle_d	11.964	3343
X-RAY DIFFRACTION	f_chiral_restr	0.089	1429
X-RAY DIFFRACTION	f_plane_restr	0.009	1650

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 (%)
1.5497-1.5673	0.2286	216	0.1961	4615	X-RAY DIFFRACTION	88
1.5673-1.5858	0.2148	271	0.1912	5093	X-RAY DIFFRACTION	95
1.5858-1.6051	0.1995	250	0.1823	4986	X-RAY DIFFRACTION	95
1.6051-1.6254	0.205	278	0.1833	5040	X-RAY DIFFRACTION	95
1.6254-1.6468	0.2022	264	0.1784	5020	X-RAY DIFFRACTION	95
1.6468-1.6694	0.1945	253	0.1713	5090	X-RAY DIFFRACTION	96
1.6694-1.6932	0.1986	264	0.1635	5034	X-RAY DIFFRACTION	96
1.6932-1.7185	0.1896	288	0.1599	5037	X-RAY DIFFRACTION	96
1.7185-1.7454	0.1903	261	0.1616	5059	X-RAY DIFFRACTION	96
1.7454-1.774	0.1804	278	0.1587	5099	X-RAY DIFFRACTION	96
1.774-1.8046	0.1751	267	0.1531	5103	X-RAY DIFFRACTION	96
1.8046-1.8374	0.1778	263	0.1562	5053	X-RAY DIFFRACTION	96
1.8374-1.8727	0.1801	279	0.1484	5083	X-RAY DIFFRACTION	97
1.8727-1.9109	0.164	288	0.1458	5121	X-RAY DIFFRACTION	97
1.9109-1.9525	0.1848	253	0.1488	5086	X-RAY DIFFRACTION	97
1.9525-1.9979	0.1744	282	0.1479	5075	X-RAY DIFFRACTION	97
1.9979-2.0479	0.1737	272	0.1497	5176	X-RAY DIFFRACTION	97
2.0479-2.1032	0.1747	275	0.1463	5105	X-RAY DIFFRACTION	97
2.1032-2.1651	0.1663	278	0.1411	5117	X-RAY DIFFRACTION	97
2.1651-2.235	0.1668	292	0.1476	5148	X-RAY DIFFRACTION	97
2.235-2.3149	0.1786	296	0.1542	5147	X-RAY DIFFRACTION	98
2.3149-2.4075	0.175	264	0.1566	5164	X-RAY DIFFRACTION	98
2.4075-2.5171	0.1881	292	0.1661	5171	X-RAY DIFFRACTION	98
2.5171-2.6498	0.1677	263	0.1668	5195	X-RAY DIFFRACTION	98
2.6498-2.8157	0.1877	286	0.1671	5151	X-RAY DIFFRACTION	98
2.8157-3.0331	0.1801	260	0.1588	5240	X-RAY DIFFRACTION	99
3.0331-3.3381	0.1543	248	0.1471	5253	X-RAY DIFFRACTION	99
3.3381-3.8208	0.1406	270	0.1385	5199	X-RAY DIFFRACTION	99
3.8208-4.8124	0.1454	282	0.1279	5265	X-RAY DIFFRACTION	99
4.8124-38.9658	0.1684	274	0.167	5249	X-RAY DIFFRACTION	99

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	0.4325	0.0833	-0.0468	0.7142	0.0899	0.5809	0.0493	0.0983	-0.0299	-0.1744	-0.0482	-0.0343	-0.1328	0.1077	0.025	0.1017	0.0289	0.016	0.0546	0.0037	0.0131	103.1859	52.3561	88.4198
2	0.6632	-0.0934	0.205	0.6574	0.0561	1.8874	0.0179	0.0004	-0.0232	-0.028	-0.0249	0.0546	0.0493	-0.0489	0.0151	0.0241	0.0117	0.0054	0.0247	0.0022	0.0231	94.9347	54.4606	103.2521
3	0.6842	-0.1409	-0.2171	0.6828	-0.0473	0.6349	0.0111	-0.0906	-0.0638	0.0546	0.0096	0.0324	0.053	-0.0054	0.0047	0.0259	0.0043	0.0013	0.0349	0.0038	0.0202	98.9574	53.9175	110.3419
4	0.8872	0.6274	0.2068	1.2572	-0.4145	0.5523	0.0183	-0.127	0.1403	0.2422	-0.143	0.2319	-0.2327	-0.1408	-0.1547	0.1108	0.0205	0.0099	0.0934	-0.0316	0.053	104.4137	67.9533	115.3081
5	1.199	0.432	0.0546	0.266	-0.0342	0.6975	0.1031	-0.2306	-0.0518	0.129	-0.1183	-0.0581	0.1419	-0.0266	-0.0229	0.0589	-0.009	-0.0058	0.0832	0.0106	0.044	105.4424	52.8503	116.2903
6	0.8124	0.1682	0.0045	0.7254	-0.0753	0.8751	0.0469	-0.0436	-0.0817	0.0572	-0.0349	-0.1442	0.1021	0.1603	0.0556	0.0313	0.0218	-0.0233	0.0627	-0.0067	0.0473	111.9046	54.3116	106.1987
7	0.6727	-0.1534	0.118	0.6198	0.3463	0.6872	0.0477	-0.0159	-0.0814	-0.006	-0.0229	-0.0088	0.1023	0.0902	-0.0141	0.0635	0.0193	-0.0061	0.0491	0.0006	0.0327	104.36	45.782	95.0007
8	0.5659	-0.4219	0.071	1.6215	0.8944	0.8614	-0.019	0.172	-0.1489	-0.2572	-0.1878	0.3534	-0.1663	-0.2786	-0.0249	0.1003	0.0302	-0.0418	0.1193	-0.0503	0.0372	88.0208	52.5713	86.1899
9	0.9256	-0.1275	0.6797	0.9363	-0.2876	1.2681	-0.0297	0.3652	0.1092	-0.2137	-0.1669	-0.1932	0.0395	0.3117	-0.428	0.1259	0.0607	0.0053	0.0553	-0.03	0.0181	100.9251	50.6696	75.8154
10	0.4001	0.213	0.2185	0.5051	-0.1825	0.3935	0.0894	0.2553	-0.1029	-0.3526	-0.1769	-0.0719	-0.1197	0.1195	-0.4096	0.1988	0.0712	0.0104	0.078	-0.0827	-0.0433	99.6226	48.6156	75.1938
11	0.9719	0.2491	-0.0086	0.6905	-0.1344	0.6343	-0.0197	-0.0556	0.0475	-0.0174	0.0265	0.0935	-0.0463	-0.0548	-0.011	0.0509	0.0232	-0.0023	0.0421	0.0081	0.0445	90.2682	74.0592	94.6102
12	1.3309	0.0149	-0.1767	0.9737	0.1688	0.8639	-0.0188	0.0933	0.1053	-0.1158	0.0329	-0.2186	-0.0269	0.1793	0.0273	0.0513	0.0059	0.0196	0.064	0.0085	0.0529	110.7811	76.5207	92.1703
13	1.4554	0.1043	0.0684	0.7656	-0.1331	1.1461	0.0133	0.0939	0.0227	-0.0238	-0.0881	-0.1498	0.0315	0.2236	-0.0427	0.0403	0.0095	0.0091	0.0804	0.0029	0.0547	115.684	74.7058	100.7768
14	0.8334	0.1105	0.1094	0.5297	-0.0985	0.5567	-0.0355	-0.0291	0.1728	-0.0251	0.0216	0.0416	-0.1701	-0.0114	0.0291	0.0837	0.0255	-0.0032	0.0484	-0.0095	0.0626	96.3684	82.0132	99.922
15	1.5014	0.0895	0.6271	0.744	-0.3027	1.18	0.0258	-0.0599	-0.0056	-0.0224	0.0199	0.0441	0.053	-0.0861	-0.0159	0.0386	0.0137	0.0091	0.0328	0.0135	0.0499	92.3459	71.8977	96.705
16	1.4696	0.0306	0.1573	1.1794	-0.2867	1.2703	0.0725	0.026	0.0077	-0.0757	0.0204	0.299	-0.0412	-0.2866	-0.0686	0.0946	0.0512	-0.0379	0.0749	0.0158	0.1031	76.365	73.0128	93.4561
17	0.4605	-0.0936	-0.0905	1.0514	-0.3764	0.6681	-0.0099	-0.1606	0.0406	-0.1434	0.0913	0.2563	-0.0881	-0.2221	0.0271	0.0909	0.0386	-0.0189	0.1072	0.0029	0.1162	74.5683	74.1889	94.8458
18	0.951	-0.1738	0.1062	0.6144	-0.035	0.6582	-0.0092	-0.1036	-0.0421	0.066	0.017	0.0426	-0.0227	-0.0887	-0.0006	0.0464	-0.0083	0.0024	0.0513	0.0018	0.0245	81.3808	56.4492	148.6784
19	0.5897	-0.0821	-0.0255	0.5979	-0.0596	0.8361	-0.0621	-0.1481	0.0548	0.0062	0.0324	0.1616	-0.121	-0.2362	0.0049	0.0385	0.0242	0.0123	0.1093	-0.0064	0.0752	66.4712	65.0567	143.735
20	0.8387	-0.0979	0.3009	0.3903	-0.0179	0.436	-0.0469	-0.0908	0.1164	0.0925	0.0314	-0.0045	-0.0678	-0.0335	0.0096	0.0571	-0.0048	-0.0041	0.0388	-0.012	0.0527	85.9071	64.841	147.1422
21	1.5428	-0.1441	-0.0245	1.0669	0.5913	1.0882	-0.0445	-0.2334	-0.4385	0.3226	0.0059	-0.0873	0.2693	0.1354	-0.1467	0.0991	-0.0105	-0.0354	0.0691	0.0524	0.1202	91.6692	43.4159	151.4275
22	1.8388	0.2218	-0.0407	1.4513	-0.1247	1.6906	0.0293	0.058	-0.0398	-0.0747	-0.0211	-0.1066	0.0694	0.2126	-0.0459	0.0307	0.0056	-0.0183	0.045	-0.0026	0.0648	104.1236	51.1679	144.0748
23	1.5354	0.1041	0.5977	1.8615	-0.5327	1.9656	-0.0039	-0.0452	-0.0454	0.1265	0.0248	-0.2089	0.0079	0.1583	0.01	0.0429	0.015	0.0014	0.0503	-0.0076	0.0834	105.3892	51.2097	145.919
24	0.7633	0.3335	-0.1555	0.7457	-0.2281	0.8843	0.0074	0.0343	-0.0569	-0.0045	0.0035	0.0107	0.0461	-0.0376	0.0047	0.0205	-0.0053	-0.0044	0.0207	-0.0022	0.0323	78.2727	45.1895	128.2881
25	0.8645	-0.2013	-0.1766	0.6459	0.0576	0.967	0.0468	0.0977	0.0937	-0.0685	-0.0565	-0.0387	-0.1161	-0.0754	0.014	0.0334	0.0033	-0.0054	0.05	0.0153	0.0517	74.4949	61.1701	121.9746
26	0.2514	-0.0438	-0.0487	0.3489	-0.057	0.772	0.0968	0.0628	0.018	-0.0735	-0.0486	0.2033	-0.0372	-0.1822	0.0929	0.0284	0.0095	-0.0387	0.0701	0.0029	0.101	66.5818	53.6342	125.2506
27	1.097	-0.0966	0.5001	1.5108	-0.5017	0.5954	-0.074	0.4559	-0.1614	-0.4459	0.0709	-0.2127	0.2547	0.0686	0.0516	0.1481	-0.0296	0.0238	0.1359	-0.028	0.0903	76.2121	39.5107	117.5683
28	0.6433	0.0913	-0.1405	1.3568	0.1313	0.741	0.0061	0.0618	-0.1253	-0.0596	0.0033	0.1406	0.1124	-0.2956	-0.0417	0.0642	-0.0476	0.0012	0.0481	0.01	0.0645	68.3284	37.0888	133.2595
29	0.4947	-0.0694	-0.167	0.9828	0.6556	0.6712	-0.035	0.0194	-0.3426	0.2144	-0.0382	-0.301	0.1974	0.114	0.021	0.0877	0.0035	-0.0061	0.0645	0.0386	0.1704	87.1452	33.4447	137.2044
30	0.8211	-0.6013	0.1022	1.0017	0.4473	1.0512	-0.1583	-0.2064	-0.1279	0.1918	0.0219	-0.0038	0.1137	-0.0591	-0.0517	0.0957	-0.0416	-0.0048	0.0392	0.0402	0.1201	74.9423	28.1518	147.6219
31	0.108	0.0961	0.0523	0.3625	-0.0458	0.0551	0.0705	-0.0146	-0.0565	-0.0552	-0.0558	0.1311	0.1357	-0.0443	0.2072	0.0257	-0.1149	-0.0045	-0.0534	0.0318	0.1753	69.7194	27.0522	136.6612
32	0.5119	0.0007	0.0101	0.7301	-0.0577	0.3203	-0.049	-0.0601	-0.2907	0.1262	-0.0706	0.0776	0.1078	-0.1001	-0.0006	0.0934	-0.0437	0.0083	0.049	0.0285	0.1466	73.3734	25.8598	143.1987

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 232 through 270 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 271 through 298 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 299 through 339 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 340 through 354 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 355 through 377 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 378 through 397 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 398 through 448 )
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 449 through 465 )
9	X-RAY DIFFRACTION	9	chain 'A' and (resid 466 through 500 )
10	X-RAY DIFFRACTION	10	chain 'A' and (resid 501 through 525 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 231 through 289 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 290 through 331 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 332 through 377 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 378 through 431 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 432 through 458 )
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 459 through 500 )
17	X-RAY DIFFRACTION	17	chain 'B' and (resid 501 through 525 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 231 through 331 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 332 through 377 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 378 through 448 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 449 through 465 )
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 466 through 500 )
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 501 through 526 )
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 232 through 331 )
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 332 through 377 )
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 378 through 397 )
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 398 through 417 )
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 418 through 448 )
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 449 through 465 )
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 466 through 486 )
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 487 through 500 )
32	X-RAY DIFFRACTION	32	chain 'D' and (resid 501 through 526 )

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