PDB-6cwt: Hepatitis B core-antigen in complex with Fab e21

ID or keywords:

Entry

Database: PDB / ID: 6cwt

Title

Hepatitis B core-antigen in complex with Fab e21

Components

Capsid protein
Fab e21 heavy chain
Fab e21 light chain

Keywords

VIRAL PROTEIN/IMMUNE SYSTEM / Hepatitis B virus / Fab / Core dimer / Nucleocapsid / VIRAL PROTEIN / VIRAL PROTEIN-IMMUNE SYSTEM complex

Function / homology

Function and homology information

microtubule-dependent intracellular transport of viral material towards nucleus / T=4 icosahedral viral capsid / viral penetration into host nucleus / host cell / host cell cytoplasm / symbiont entry into host cell / structural molecule activity / DNA binding / RNA binding / identical protein binding
Similarity search - Function

Biological species

Oryctolagus cuniculus (rabbit)

Hepatitis B virus subtype adyw

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3.151 Å

Authors

Eren, E. / Steven, A.C. / Wingfield, P.T.

Funding support

United States, 1items

Citation

Journal: Structure / Year: 2018
Title: Structures of Hepatitis B Virus Core- and e-Antigen Immune Complexes Suggest Multi-point Inhibition.
Authors: Eren, E. / Watts, N.R. / Dearborn, A.D. / Palmer, I.W. / Kaufman, J.D. / Steven, A.C. / Wingfield, P.T.

History

Deposition	Mar 30, 2018	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Aug 29, 2018	Provider: repository / Type: Initial release
Revision 1.1	Oct 17, 2018	Group: Data collection / Database references / Source and taxonomy Category: citation / entity_src_gen Item: _citation.journal_volume / _citation.page_first / _entity_src_gen.pdbx_gene_src_scientific_name
Revision 1.2	Dec 11, 2019	Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.3	Oct 4, 2023	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.4	Oct 23, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	6cwt.cif.gz	432.2 KB	Display	PDBx/mmCIF format
PDB format	pdb6cwt.ent.gz	361.9 KB	Display	PDB format
PDBx/mmJSON format	6cwt.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	6cwt_validation.pdf.gz	471.5 KB	Display	wwPDB validaton report
Full document	6cwt_full_validation.pdf.gz	492.1 KB	Display
Data in XML	6cwt_validation.xml.gz	39.7 KB	Display
Data in CIF	6cwt_validation.cif.gz	54.1 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/cw/6cwt ftp://data.pdbj.org/pub/pdb/validation_reports/cw/6cwt	HTTPS FTP

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Related structure data

Related structure data	6cvkC 6cwdC 4d3cS S: Starting model for refinement C: citing same article (ref.)
Similar structure data	2zqj-d 5wt1-d 2v7g-2 2v7g-1 1ms8-d 6veq-d 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
Related items in Molecule of the Month	#21 - Sep 2001 Antibodies similarity (1) #256 - Apr 2021 SARS-CoV-2 Spike and Antibodies similarity (1) #62 - Feb 2005 Major Histocompatibility Complex similarity (3) #200 - Aug 2016 Quasisymmetry in Icosahedral Viruses similarity (1)

Deposited unit

A: Fab e21 heavy chain

B: Fab e21 light chain

C: Fab e21 heavy chain

D: Fab e21 light chain

E: Capsid protein

F: Capsid protein

129 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author&software
Evidence: gel filtration, equilibrium centrifugation

Unit cell

Length a, b, c (Å)	238.376, 66.523, 104.232
Angle α, β, γ (deg.)	90.00, 110.30, 90.00
Int Tables number	5
Space group name H-M	C121

#1: Antibody	Fab e21 heavy chain Mass: 24614.475 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Oryctolagus cuniculus (rabbit) / Production host: Escherichia coli (E. coli)
#2: Antibody	Fab e21 light chain Mass: 23047.418 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Oryctolagus cuniculus (rabbit) / Production host: Escherichia coli (E. coli)
#3: Protein	Capsid protein / Core antigen / Core protein / HBcAg / p21.5 Mass: 16720.025 Da / Num. of mol.: 2 / Mutation: C48A, C107A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Hepatitis B virus subtype adyw / Production host: Escherichia coli (E. coli) / References: UniProt: P03147
Has protein modification	Y

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 3.01 Å³/Da / Density % sol: 59.13 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 20% (w/v) PEG 3350, 0.2 M Potassium thiocyanate 0.1 M Bis-tris propane, pH 6.5

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
Detector	Type: MARMOSAIC 325 mm CCD / Detector: CCD / Date: Jun 24, 2017
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 3.15→40 Å / Num. obs: 26112 / % possible obs: 97.2 % / Redundancy: 2.1 % / CC_1/2: 0.94 / R_rim(I) all: 0.18 / Net I/σ(I): 12.9
Reflection shell	Resolution: 3.15→3.21 Å / Redundancy: 5.1 % / Mean I/σ(I) obs: 1.9 / Num. unique obs: 2196 / CC_1/2: 0.67 / R_rim(I) all: 1.45 / % possible all: 82.7

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Processing

Software

Name	Version	Classification
PHENIX	(1.10.1_2155: ???)	refinement
HKL-2000		data reduction
SCALEPACK		data scaling
PHENIX		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 4D3C

4d3c

Resolution: 3.151→39.983 Å / SU ML: 0.59 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 36.15 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2831	1998	7.67 %
R_work	0.2305	-	-
obs	0.2346	26053	96.99 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 3.151→39.983 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	8078	0	0	0	8078

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.003	8283
X-RAY DIFFRACTION	f_angle_d	0.809	11328
X-RAY DIFFRACTION	f_dihedral_angle_d	11.909	4896
X-RAY DIFFRACTION	f_chiral_restr	0.049	1314
X-RAY DIFFRACTION	f_plane_restr	0.006	1446

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 (%)
3.1507-3.2295	0.4496	109	0.3751	1308	X-RAY DIFFRACTION	75
3.2295-3.3168	0.42	145	0.3672	1746	X-RAY DIFFRACTION	98
3.3168-3.4143	0.3888	141	0.3452	1699	X-RAY DIFFRACTION	98
3.4143-3.5245	0.3584	146	0.3192	1753	X-RAY DIFFRACTION	98
3.5245-3.6504	0.4358	142	0.2913	1707	X-RAY DIFFRACTION	98
3.6504-3.7964	0.3542	144	0.2778	1737	X-RAY DIFFRACTION	99
3.7964-3.969	0.365	146	0.2698	1749	X-RAY DIFFRACTION	99
3.969-4.1781	0.2962	144	0.2329	1750	X-RAY DIFFRACTION	99
4.1781-4.4395	0.2453	147	0.2058	1759	X-RAY DIFFRACTION	99
4.4395-4.7818	0.2505	144	0.1843	1749	X-RAY DIFFRACTION	99
4.7818-5.2621	0.2405	145	0.1941	1736	X-RAY DIFFRACTION	99
5.2621-6.0213	0.287	148	0.2107	1779	X-RAY DIFFRACTION	99
6.0213-7.5777	0.2969	146	0.2395	1775	X-RAY DIFFRACTION	99
7.5777-39.9862	0.2091	151	0.1882	1808	X-RAY DIFFRACTION	97

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	4.2536	1.1114	-2.7257	4.6753	2.0933	3.4387	-0.3603	-0.3387	1.1619	0.3054	0.4491	-0.2774	-0.07	1.9906	-0	0.7227	0.0496	-0.0322	1.2256	0.159	1.0872	338.2218	64.27	-66.7701
2	4.3566	2.3283	-2.2972	4.1232	1.8687	8.2389	-0.0449	-0.9508	0.1524	0.7657	0.5445	-0.0138	0.0652	1.0705	0.1348	0.8822	0.2368	-0.0635	1.0812	0.0043	0.743	324.5448	63.8091	-58.7001
3	1.932	0.6077	-2.3775	0.1956	0.1834	6.1626	0.047	-0.9879	0.0901	0.3031	-0.1836	-0.1196	-0.0325	0.6553	0.1552	0.8267	0.0979	-0.0356	0.7266	0.0274	0.8271	329.294	62.9699	-64.7651
4	3.7901	0.2234	3.3201	7.7467	3.6366	4.3816	-0.6143	1.76	-0.2178	-2.1185	-2.027	2.1224	-1.9433	-1.1628	0.4009	1.6239	-0.1718	0.3013	1.3606	-0.1477	1.4132	321.132	70.6609	-108.9138
5	4.05	0.0189	-0.1737	2.1277	-0.2691	4.2555	-0.1786	-0.1965	-0.3229	-0.123	0.3091	-0.0306	-0.3621	-0.0828	0.0134	0.5938	0.0182	0.1155	0.3807	0.053	0.8189	328.6997	67.6545	-88.8341
6	4.7613	1.0574	2.1279	4.4601	-0.2308	5.1963	-0.2302	0.0823	0.8573	-0.2408	-0.3686	-0.1714	-0.449	-0.0326	0.023	0.6382	-0.0126	0.0532	0.4635	0.1123	0.9157	328.4831	75.0506	-92.8241
7	3.749	1.0015	-2.0891	4.2068	-0.7022	8.2334	-0.0796	-0.9935	-0.9399	0.4806	0.2262	0.5254	1.5528	-0.6357	0.3575	0.9333	0.0387	0.2998	0.7707	0.0851	0.9232	308.3622	50.6065	-66.4692
8	2.3702	-0.491	0.6158	2.0479	2.5113	3.7124	-0.0388	0.0883	-0.5206	-0.2176	-0.1247	-0.2254	-0.3451	0.7201	-0.0439	0.5683	0.0651	-0.0168	0.8303	0.1575	0.7087	313.3145	63.0575	-69.8539
9	2.9494	0.6333	2.9771	9.9759	1.3765	3.0745	-1.3082	0.6722	1.1162	-0.4223	-0.7973	1.2473	-1.7861	0.5171	0.0937	0.988	0.0408	-0.1063	1.1822	0.0153	1.0514	302.8395	65.3335	-65.0487
10	5.7428	0.9057	-0.786	4.2016	-0.0586	9.7394	-0.5237	-0.4039	-0.0209	0.4898	-0.0635	0.2314	-0.5237	-1.17	0.1682	0.5926	0.1153	-0.0169	0.873	0.1024	0.8122	304.558	57.2327	-70.2283
11	6.0602	-0.4997	2.2338	4.386	1.8496	1.7875	0.5894	-1.3894	-1.9162	0.796	1.2976	2.7009	2.017	0.5704	0.4808	0.7395	-0.1605	-0.2547	1.0751	0.1168	0.6377	316.818	53.5694	-57.1642
12	1.623	0.4574	-1.3491	0.3298	0.3778	3.4932	-0.2578	-0.016	0.3981	-0.1973	0.8548	0.2465	0.3265	-1.1415	0.1722	0.6384	-0.0533	0.0592	0.3901	-0.1246	0.7547	315	59.8887	-93.9541
13	2.3215	0.9448	-2.6586	3.1998	0.4546	6.0765	1.1888	0.0973	1.8225	-0.8039	0.225	-0.1481	-0.8986	0.6916	-0.3922	0.8228	-0.0579	0.108	0.593	-0.0254	0.7421	333.9865	64.6712	-100.2443
14	6.3621	0.2718	-4.2995	1.842	-0.0018	4.6649	-0.0648	-0.1398	-0.1178	-0.2356	0.1237	-0.4009	0.3771	-0.1553	0.2234	0.6442	0.0417	-0.0125	0.3174	0.1348	0.7259	323.5414	53.0396	-98.1003
15	5.8449	0.1893	-1.5895	1.5482	-0.3335	6.4908	-0.3862	0.5109	-0.0975	-0.2924	0.0866	0.0618	-0.3509	0.0607	-0.126	0.7083	-0.1229	-0.1248	0.3513	0.0875	0.6222	324.1489	58.5244	-101.8462
16	1.8321	2.2922	0.2484	4.8905	-2.1814	3.7683	0.4283	1.0163	0.5701	0.189	0.7603	0.6821	0.7022	-0.3426	-0.09	0.7308	0.0448	-0.0641	2.0116	-0.2101	1.2693	236.3003	79.341	-83.4503
17	8.3986	-1.6071	-5.7827	1.9859	-3.4649	2.0403	-1.6511	-0.7841	0.8378	-0.057	-0.5593	0.7077	1.4291	0.2243	-1.9313	1.1786	-0.253	-0.0392	1.1062	-0.5452	0.7427	242.6093	67.9148	-82.0694
18	6.343	1.6246	-1.6343	1.4824	-2.8439	5.8129	0.3964	-2.4699	-1.0998	-1.7768	-0.2715	0.4094	-0.1037	0.3994	-0.7435	0.4321	-0.9082	-0.8004	1.4424	-1.1745	-0.612	248.5205	66.6991	-74.7937
19	5.3251	-0.9781	0.1914	2.267	-2.1923	5.011	-0.2956	-0.9587	0.829	0.4169	-0.0482	1.14	0.0816	-0.8785	0.138	0.9324	-0.3851	0.1466	1.8466	-0.4258	0.6173	243.4969	70.9045	-69.5003
20	2.4584	-0.4779	0.0335	4.2442	-2.8676	1.9587	-0.6988	0.952	-0.3747	-2.0591	0.721	1.681	1.4833	-0.6955	0.2744	1.1935	-0.4192	-0.0734	1.5343	-0.362	0.9484	240.3593	64.5048	-78.8532
21	7.2543	-1.308	0.7254	3.4985	-3.1847	3.1476	-0.4552	1.4666	1.0887	0.8382	0.2182	-0.1312	-0.5724	0.5829	0.0812	0.6735	-0.0993	-0.1509	1.2534	-0.4556	0.804	242.9657	77.0128	-76.1489
22	3.6118	0.4434	0.8108	0.7744	-1.619	3.8909	-0.3488	-1.6587	-1.3738	-1.2494	0.3406	-0.6326	0.4103	-1.2354	0.8754	1.5014	-0.1748	0.3586	1.5693	-0.2235	0.7655	255.7735	59.5668	-68.6862
23	2.7917	1.7708	2.4816	4.3955	0.2589	2.7877	-0.3156	-0.2624	-0.8429	0.6518	-0.7383	-1.2297	0.3038	1.3666	0.5267	0.8662	0.2039	-0.033	1.4597	-0.1048	0.8873	256.8811	67.0292	-74.8406
24	2.6888	0.8854	0.4874	6.5617	-1.6644	2.0212	-0.6177	-0.066	0.5516	-0.9696	-1.2993	1.2359	1.4293	-0.4884	-3.6424	0.8544	-0.2421	-0.1464	2.0231	-0.4398	0.4884	247.6187	75.9245	-82.8228
25	2.8032	0.738	3.3173	3.8276	1.6954	4.0337	0.5055	0.8176	1.2751	0.1522	-0.1691	-0.3135	1.3085	-0.8224	1.202	0.3771	0.8202	0.1139	0.7059	-0.1068	1.7703	244.7687	91.0723	-94.662
26	0.6378	0.7039	-0.6877	3.7059	-2.3384	4.5295	0.2303	0.9053	1.3034	-0.2672	0.2837	0.7178	-1.2327	-0.7036	-0.5368	0.717	0.5959	-0.0752	0.9804	-0.1054	1.7206	255.8455	94.4122	-97.2751
27	8.8888	-0.6842	-1.7002	4.8453	-0.8736	3.5523	-0.4798	-0.3086	-0.0974	-0.6898	0.1314	1.3171	1.2951	0.1734	0.0718	0.7563	0.0633	-0.0543	0.9865	-0.196	1.4336	252.9567	84.5406	-95.2368
28	1.9027	0.7778	-0.8757	4.2357	2.4547	6.871	-0.6713	0.3391	0.4983	0.2075	-1.1545	1.4627	1.1821	0.404	0.2767	1.2217	0.0758	0.1928	0.7705	-0.0237	1.374	264.8232	86.2963	-94.8182
29	0.1217	0.2578	-0.2194	0.6848	-0.779	0.88	-0.5449	-0.2174	3.2871	-0.7689	-1.1822	0.0133	-1.3981	-1.4986	-0.2061	0.9411	0.3343	-0.0833	1.4041	-0.4245	1.8192	247.241	95.2235	-87.3795
30	7.4391	1.5745	-0.9402	4.1386	-0.462	4.7581	0.8351	1.4735	0.5426	-0.8677	-0.6748	-0.3629	-0.0951	-0.2235	0.1603	0.6832	0.2016	-0.0031	0.7279	0.0993	1.2163	257.6265	88.2902	-99.8572
31	6.0627	-3.3308	2.848	5.5664	2.9432	6.8134	-0.8875	2.0023	0.6598	-1.9644	-1.0182	-0.5428	2.0361	-0.2246	0.2234	0.7181	-0.0213	-0.0886	1.2565	0.0218	0.905	254.5689	88.1029	-105.9162
32	2.1482	-2.2341	0.5813	2.4071	-0.0036	3.0461	-0.4945	-0.3958	0.3149	0.8595	1.1928	-0.0926	-0.7305	0.1724	0.2269	1.0839	-0.0367	0.1542	1.4392	-0.2567	0.9167	259.8101	82.3158	-62.4711
33	4.9641	2.4523	-0.8011	2.5828	-0.2115	3.7673	0.0733	-0.4602	0.1197	0.6236	-0.3584	0.1813	0.0856	0.565	0.4046	0.9874	0.0012	0.1428	1.0344	-0.1619	0.7878	263.5527	75.8442	-67.8178
34	0.6792	0.4175	0.4084	1.9933	1.1251	0.8541	-0.5591	-0.6432	1.0387	-0.2423	-0.7019	0.0523	0.6534	-0.1591	0.5057	0.9977	0.1027	0.0594	1.4218	0.119	0.9966	270.6566	68.5921	-70.8775
35	2.5047	-0.5948	-0.2338	1.5719	-1.6873	6.5138	-0.3246	-0.5694	0.5982	0.3972	-0.3768	-0.2889	-0.8357	-0.0135	0.3612	0.7402	-0.0663	-0.116	0.7768	-0.2324	0.7958	264.4302	83.2019	-73.8272
36	3.3761	-1.6252	-3.5233	6.7721	0.2236	4.0907	0.8364	0.0186	1.0787	-1.7479	-1.3913	0.3193	0.1572	-0.5052	-0.5851	1.4978	0.2046	-0.0391	0.708	-0.2482	1.4671	253.1165	102.1084	-97.2623
37	3.1427	0.5834	0.5151	2.6997	-0.5193	5.0845	-0.148	-1.1783	1.269	0.0287	0.0875	0.2454	-1.0843	-0.9508	0.1649	1.0706	0.0962	-0.0097	0.7849	-0.2708	1.5228	261.5484	101.0521	-84.6025
38	1.9536	-1.6537	0.7405	1.6699	-1.8599	5.1086	0.0637	0.0204	1.825	0.3614	-0.0724	-0.575	-1.4649	-1.1398	0.2213	1.4017	0.175	0.0142	0.9352	-0.2049	1.672	259.8322	108.6135	-92.7252
39	3.6052	0.2334	-0.6353	0.607	-1.0128	1.6264	0.2156	-0.1276	0.2596	0.1391	-0.516	-0.3521	0.3726	0.5492	-0.2763	1.0652	0.0961	0.1212	1.914	0.2198	1.0572	295.8849	57.7151	-43.6919
40	1.5958	0.2724	-1.7256	1.2636	-1.4509	2.9643	1.2813	-0.6274	-0.1602	2.1782	-0.289	-1.0134	0.064	0.2836	-0.2811	2.1102	-0.8729	0.6653	0.3607	-1.2905	1.548	286.2312	70.4706	-38.2922
41	5.4497	-2.0336	-2.092	3.4455	2.0862	1.5599	-1.0359	1.5887	-0.775	-2.2968	-1.6026	-0.3752	-0.6494	2.335	-1.0401	1.0803	-0.1169	0.3998	1.6693	-0.0403	1.1887	282.0972	70.8484	-51.3132
42	2.2297	-0.4546	-1.9003	0.1087	0.2158	1.0867	0.0758	1.637	0.2785	0.6941	-0.1514	-0.0797	-0.7198	-0.3395	-0.3326	1.1249	0.2574	0.1173	2.0007	-0.047	0.8209	280.2289	58.0618	-40.2601
43	4.5945	-0.5908	1.4768	5.4968	-0.2052	0.5674	0.6158	0.1812	-0.2805	-0.0581	-0.9204	-2.1186	0.5301	0.9262	0.5299	0.8275	0.2862	-0.1377	1.6103	0.2958	0.8256	288.0864	51.031	-30.4651
44	2.7814	-0.8289	-0.6026	0.6823	0.5322	2.7297	-1.0734	-1.9887	-0.0198	0.6892	0.0171	0.7896	0.3616	0.3664	-0.4046	1.0436	0.2954	0.2406	1.9001	-0.1735	1.1156	292.672	63.0384	-44.6145
45	5.3167	-0.3127	-2.098	6.6473	1.677	4.1714	-0.3561	-0.9205	3.6272	0.8789	1.0224	-1.3286	-0.4064	0.9399	-0.3017	1.3617	0.2833	0.2491	1.9555	-0.1277	0.8654	302.6576	64.1059	-50.2219
46	0.7251	0.1662	-0.9067	0.3148	0.2961	2.0546	-0.3777	-1.8809	-0.2291	-1.0635	-0.9523	-0.7336	-1.0182	2.3207	0.0593	1.4245	0.0614	0.206	2.4091	-0.0346	1.0726	316.2467	55.257	-43.5596
47	5.3482	1.2427	-1.565	6.9539	-6.5031	6.0962	-1.0634	-2.0332	1.8224	-0.3259	-2.3739	-0.738	1.0167	3.3463	-0.3606	2.0926	0.2822	0.2409	2.3689	-0.8253	1.6039	314.9084	63.8856	-42.7805
48	3.426	-1.9641	0.9152	1.1017	-0.1945	2.9671	-0.4193	0.5193	-0.2268	0.4387	0.5781	0.1731	0.3601	-1.001	0.0529	1.2527	-0.0026	0.2902	1.8747	0.1369	0.9737	267.3883	57.4181	-51.9524
49	0.3607	-0.1061	-0.7343	0.011	0.2352	2.3384	0.4583	-1.1927	-1.3892	-0.0971	-0.0448	0.9382	1.5426	-1.2617	0.1902	1.6146	0.1034	0.4124	1.433	0.3607	1.3886	277.1021	41.8892	-55.5312
50	3.0203	-1.1369	0.5546	2.1807	-1.0449	3.0536	-1.4439	-0.4701	0.4655	-0.2648	0.3555	0.7227	0.6202	1.2671	-0.0296	1.4047	0.403	0.7563	1.4544	0.0346	0.9349	283.9616	49.9232	-49.6899
51	0.0373	-0.0552	-0.0174	0.0309	0.0191	0.0031	-0.0546	0.38	-0.8452	-0.4409	0.918	-0.2718	0.7057	-0.1357	-0.0887	0.9538	-0.3659	-0.0036	1.3292	0.2241	1.5089	270.3872	47.4418	-38.7524
52	5.0195	-1.6831	1.266	4.3843	2.2334	3.2258	-0.9071	1.4944	-2.1158	0.5123	-1.6794	0.4377	1.2237	1.0312	0.0282	1.5164	0.0534	0.3577	1.7925	-0.1067	0.9568	272.8068	51.931	-54.5283
53	3.7472	0.0626	1.8798	3.2383	-0.7727	3.1171	0.829	0.7826	-0.8885	-1.2245	-0.5803	-0.2709	-0.0637	-1.4702	-0.1596	1.117	-0.0064	0.2945	1.4132	0.1036	0.9495	258.9434	57.9887	-60.22
54	0.4685	0.21	-0.4638	1.2462	-1.6607	2.1215	0.1368	-1.4085	0.1445	0.8357	1.2485	1.362	0.8435	-3.57	-0.1186	1.127	-0.3448	0.1298	1.7186	-0.2349	0.8433	252.0293	53.3792	-62.8185

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 7 through 21 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 22 through 58 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 59 through 130 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 131 through 140 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 141 through 181 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 182 through 220 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 2 through 35 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 36 through 49 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 50 through 62 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 63 through 89 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 90 through 103 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 104 through 123 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 124 through 139 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 140 through 165 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 166 through 215 )
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 7 through 16 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 17 through 23 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 29 through 38 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 39 through 70 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 71 through 79 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 80 through 94 )
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 95 through 104 )
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 105 through 109 )
24	X-RAY DIFFRACTION	24	chain 'C' and (resid 110 through 115 )
25	X-RAY DIFFRACTION	25	chain 'C' and (resid 116 through 132 )
26	X-RAY DIFFRACTION	26	chain 'C' and (resid 140 through 151 )
27	X-RAY DIFFRACTION	27	chain 'C' and (resid 152 through 163 )
28	X-RAY DIFFRACTION	28	chain 'C' and (resid 164 through 171 )
29	X-RAY DIFFRACTION	29	chain 'C' and (resid 172 through 181 )
30	X-RAY DIFFRACTION	30	chain 'C' and (resid 182 through 211 )
31	X-RAY DIFFRACTION	31	chain 'C' and (resid 212 through 218 )
32	X-RAY DIFFRACTION	32	chain 'D' and (resid 2 through 14 )
33	X-RAY DIFFRACTION	33	chain 'D' and (resid 15 through 49 )
34	X-RAY DIFFRACTION	34	chain 'D' and (resid 50 through 62 )
35	X-RAY DIFFRACTION	35	chain 'D' and (resid 63 through 125 )
36	X-RAY DIFFRACTION	36	chain 'D' and (resid 126 through 139 )
37	X-RAY DIFFRACTION	37	chain 'D' and (resid 140 through 176 )
38	X-RAY DIFFRACTION	38	chain 'D' and (resid 177 through 209 )
39	X-RAY DIFFRACTION	39	chain 'E' and (resid 3 through 31 )
40	X-RAY DIFFRACTION	40	chain 'E' and (resid 32 through 36 )
41	X-RAY DIFFRACTION	41	chain 'E' and (resid 37 through 50 )
42	X-RAY DIFFRACTION	42	chain 'E' and (resid 51 through 73 )
43	X-RAY DIFFRACTION	43	chain 'E' and (resid 87 through 96 )
44	X-RAY DIFFRACTION	44	chain 'E' and (resid 97 through 109 )
45	X-RAY DIFFRACTION	45	chain 'E' and (resid 110 through 123 )
46	X-RAY DIFFRACTION	46	chain 'E' and (resid 124 through 132 )
47	X-RAY DIFFRACTION	47	chain 'E' and (resid 133 through 139 )
48	X-RAY DIFFRACTION	48	chain 'F' and (resid 3 through 26 )
49	X-RAY DIFFRACTION	49	chain 'F' and (resid 27 through 39 )
50	X-RAY DIFFRACTION	50	chain 'F' and (resid 40 through 73 )
51	X-RAY DIFFRACTION	51	chain 'F' and (resid 90 through 95 )
52	X-RAY DIFFRACTION	52	chain 'F' and (resid 96 through 109 )
53	X-RAY DIFFRACTION	53	chain 'F' and (resid 110 through 132 )
54	X-RAY DIFFRACTION	54	chain 'F' and (resid 133 through 139 )

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