PDB-6l8t: Crystal structure of the Fab fragment of a humanized HBV therapeu...

ID or keywords:

Entry

Database: PDB / ID: 6l8t

Title

Crystal structure of the Fab fragment of a humanized HBV therapeutic antibody

Components

Antibody heavy chain
Antibody light chain

Keywords

IMMUNE SYSTEM / Antibody

Function / homology

Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta

Function and homology information

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.766 Å

Authors

He, M.Z. / Gu, Y. / Li, S.W.

Citation

Journal: Antiviral Res. / Year: 2020
Title: Structure guided maturation of a novel humanized anti-HBV antibody and its preclinical development.
Authors: Zhou, B. / Xia, L. / Zhang, T. / You, M. / Huang, Y. / He, M. / Su, R. / Tang, J. / Zhang, J. / Li, S. / An, Z. / Yuan, Q. / Luo, W. / Xia, N.

History

Deposition	Nov 7, 2019	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Feb 26, 2020	Provider: repository / Type: Initial release
Revision 1.1	Sep 9, 2020	Group: Database references / Category: citation / citation_author Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2	Nov 22, 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 1.3	Nov 6, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	6l8t.cif.gz	760.6 KB	Display	PDBx/mmCIF format
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Validation report

Summary document	6l8t_validation.pdf.gz	464 KB	Display	wwPDB validaton report
Full document	6l8t_full_validation.pdf.gz	472 KB	Display
Data in XML	6l8t_validation.xml.gz	62.5 KB	Display
Data in CIF	6l8t_validation.cif.gz	94.6 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/l8/6l8t ftp://data.pdbj.org/pub/pdb/validation_reports/l8/6l8t	HTTPS FTP

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Related structure data

Related structure data	4mauS S: Starting model for refinement
Similar structure data	1a5f-d 5ibu-1 2p8l-d 1u8i-d 2hkf-d 1u8k-d 4xc3-d 6n7j-2 3tcl-1 2hkh-d 1yek-d 4lri-2 4fnl-1 5cin-d 5vkk-2 Search similar-shape structures by Omokage search (details) 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

Related structure data

4mauS

S: Starting model for refinement

Similar structure data

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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)

Deposited unit

L: Antibody light chain

H: Antibody heavy chain

B: Antibody light chain

A: Antibody heavy chain

D: Antibody light chain

C: Antibody heavy chain

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

1

L: Antibody light chain

H: Antibody heavy chain

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

2

B: Antibody light chain

A: Antibody heavy chain

defined by author&software
47.7 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

D: Antibody light chain

C: Antibody heavy chain

defined by author&software
47.7 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	77.942, 75.943, 137.550
Angle α, β, γ (deg.)	90.000, 103.240, 90.000
Int Tables number	4
Space group name H-M	P12₁1

#1: Antibody	Antibody light chain Mass: 24082.857 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#2: Antibody	Antibody heavy chain Mass: 23643.369 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1547 / Source method: isolated from a natural source / Formula: H₂O
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: 2.77 Å³/Da / Density % sol: 55.56 %
Crystal grow	Temperature: 293.15 K / Method: vapor diffusion, hanging drop / Details: 0.2 M ammonium acetate, 20% (w/v) PEG 3350

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Data collection

Diffraction

Mean temperature: 80 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site:

SSRF

/ Beamline: BL17U1 / Wavelength: 0.9793 Å

Detector

Type: ADSC QUANTUM 315r / Detector: CCD / Date: Nov 9, 2015

Radiation

Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 0.9793 Å / Relative weight: 1

Reflection

Resolution: 1.76→50 Å / Num. obs: 152195 / % possible obs: 99.6 % / Redundancy: 3.7 % / R_merge(I) obs: 0.057 / R_pim(I) all: 0.034 / R_rim(I) all: 0.067 / Χ²: 1.087 / Net I/σ(I): 11.4 / Num. measured all: 568776

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Num. unique obs	CC_1/2	R_pim(I) all	R_rim(I) all	Χ²	% possible all
1.76-1.79	3.7	0.653	7519	0.684	0.397	0.766	0.969	99.9
1.79-1.82	3.7	0.527	7583	0.794	0.319	0.618	0.992	100
1.82-1.86	3.7	0.427	7628	0.842	0.258	0.5	0.994	100
1.86-1.9	3.7	0.339	7641	0.894	0.205	0.397	1.013	100
1.9-1.94	3.7	0.272	7627	0.929	0.164	0.318	1.029	100
1.94-1.98	3.7	0.224	7546	0.946	0.136	0.263	1.058	100
1.98-2.03	3.7	0.181	7615	0.964	0.109	0.212	1.081	100
2.03-2.09	3.8	0.151	7615	0.977	0.091	0.176	1.132	100
2.09-2.15	3.8	0.126	7574	0.982	0.075	0.147	1.122	99.8
2.15-2.22	3.8	0.108	7628	0.987	0.065	0.127	1.141	99.9
2.22-2.3	3.8	0.101	7630	0.988	0.061	0.118	1.187	99.7
2.3-2.39	3.8	0.091	7602	0.99	0.054	0.106	1.188	99.9
2.39-2.5	3.8	0.085	7622	0.991	0.05	0.099	1.162	99.6
2.5-2.63	3.8	0.083	7579	0.991	0.05	0.097	1.257	99.9
2.63-2.79	3.8	0.075	7643	0.991	0.045	0.087	1.242	99.6
2.79-3.01	3.7	0.071	7623	0.991	0.042	0.083	1.103	99.7
3.01-3.31	3.7	0.059	7630	0.994	0.035	0.068	1.033	99.7
3.31-3.79	3.6	0.039	7614	0.997	0.023	0.045	1.023	99.3
3.79-4.78	3.8	0.03	7706	0.998	0.018	0.035	0.963	99.7
4.78-10	3.7	0.033	7570	0.997	0.02	0.039	1.041	96.1

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Processing

Software

Name	Version	Classification
HKL-2000		data scaling
HKL-2000		data reduction
PHENIX	1.9_1692	refinement
PDB_EXTRACT	3.25	data extraction
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 4MAU

4mau

Resolution: 1.766→26.537 Å / SU ML: 0.19 / Cross valid method: THROUGHOUT / σ(F): 1.35 / Phase error: 19.31

	R_factor	Num. reflection	% reflection
R_free	0.1923	7493	4.92 %
R_work	0.1649	-	-
obs	0.1663	152165	99.28 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å

Displacement parameters

B_iso max: 152.97 Å² / B_iso mean: 41.5239 Å² / B_iso min: 10.62 Å²

Refinement step

Cycle: final / Resolution: 1.766→26.537 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	10076	0	0	1547	11623
B_iso mean	-	-	-	44.11	-
Num. residues	-	-	-	-	1317

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.005	10340
X-RAY DIFFRACTION	f_angle_d	1.008	14059
X-RAY DIFFRACTION	f_chiral_restr	0.036	1593
X-RAY DIFFRACTION	f_plane_restr	0.004	1787
X-RAY DIFFRACTION	f_dihedral_angle_d	13.34	3692

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / R_factor R_free error: 0

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	% reflection obs (%)
1.766-1.7859	0.279	209	0.2619	4264	88
1.7859-1.8069	0.2873	265	0.2496	4789	100
1.8069-1.8289	0.2724	244	0.2323	4806	100
1.8289-1.8521	0.2612	245	0.2252	4898	100
1.8521-1.8764	0.2414	248	0.2115	4793	100
1.8764-1.9021	0.2386	258	0.2059	4900	100
1.9021-1.9293	0.2434	225	0.195	4768	100
1.9293-1.9581	0.2431	281	0.1932	4838	100
1.9581-1.9887	0.2222	250	0.1886	4876	100
1.9887-2.0213	0.2261	242	0.1832	4787	100
2.0213-2.0561	0.2127	277	0.1772	4900	100
2.0561-2.0935	0.2023	258	0.1759	4808	100
2.0935-2.1337	0.2224	226	0.1765	4826	100
2.1337-2.1773	0.2004	244	0.1709	4880	100
2.1773-2.2246	0.2312	237	0.1699	4856	100
2.2246-2.2763	0.1912	227	0.1694	4830	100
2.2763-2.3332	0.2172	234	0.1686	4854	100
2.3332-2.3962	0.2064	238	0.1723	4837	100
2.3962-2.4667	0.1871	239	0.1703	4855	100
2.4667-2.5463	0.2051	261	0.174	4832	100
2.5463-2.6372	0.22	254	0.1756	4821	100
2.6372-2.7427	0.2051	277	0.1736	4824	100
2.7427-2.8674	0.202	286	0.1728	4826	100
2.8674-3.0183	0.1941	248	0.1666	4861	100
3.0183-3.2071	0.1938	271	0.1684	4864	100
3.2071-3.4543	0.1784	231	0.1602	4867	100
3.4543-3.801	0.1702	258	0.1499	4837	99
3.801-4.3489	0.1606	257	0.1403	4897	100
4.3489-5.4713	0.1385	247	0.1248	4913	100
5.4713-10	0.184	256	0.1633	4765	95

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	2.7949	1.8008	-0.8719	6.612	-3.1601	4.529	-0.1747	-0.5107	0.0169	0.5101	0.2696	0.5573	-0.4275	0.0121	-0.1722	0.5558	0.0837	0.1744	0.4571	0.0918	0.2752	-34.6743	-14.0056	1.3303
2	2.199	0.7455	-0.1263	4.9622	-2.3272	3.9642	-0.0363	-0.3255	0.0841	0.5589	-0.0576	-0.1373	-0.5377	0.5552	0.1571	0.5746	-0.066	0.0661	0.5027	0.0743	0.2196	-25.2819	-13.5713	-1.2927
3	0.4587	0.8218	-0.854	4.0956	-2.8502	1.8669	0.1384	-0.441	-0.0126	0.9742	-0.0389	0.4276	-0.4841	0.1326	-0.1442	0.4761	-0.0085	0.1428	0.3886	0.1018	0.3155	-33.3114	-9.4437	-7.905
4	4.8504	1.7278	3.1442	2.9315	1.4326	3.057	0.1137	-0.0433	0.45	0.1615	-0.0685	0.5955	0.0587	-0.0894	-0.0456	0.2423	0.0154	0.0848	0.1867	0.0712	0.3275	-42.3841	1.4095	-31.2204
5	5.8289	1.9279	4.2591	2.3413	1.4831	4.7434	0.0418	0.0744	0.6821	0.1453	-0.1301	0.5159	-0.1719	-0.1563	0.1253	0.2419	-0.0009	0.1229	0.2353	0.0848	0.3331	-41.9607	4.5056	-30.6666
6	4.6382	-1.3419	5.6922	5.8778	-1.5694	7.4645	0.0154	-0.0557	0.1394	-0.2479	0.0186	0.3619	0.2786	0.2939	0.0212	0.2955	-0.0295	0.0525	0.3786	0.0608	0.2134	-28.3907	-30.8136	-22.0079
7	1.8274	0.3078	-1.6585	2.9885	0.8784	1.9379	-0.2553	-0.5478	-0.5095	0.4206	0.3332	0.1781	0.1896	0.4308	-0.0845	0.3646	0.0377	0.0337	0.4385	0.1444	0.2604	-25.7643	-32.9566	-11.4681
8	2.7431	0.8258	-0.2571	6.6422	-2.804	5.4081	0.0038	-0.3207	-0.3755	0.2807	0.3219	1.0469	0.1102	-0.0201	-0.3241	0.3313	0.0119	0.0808	0.3708	0.1601	0.3029	-33.633	-31.778	-8.704
9	4.1479	-1.2578	1.4619	3.9656	-1.0883	2.8952	-0.0618	-0.145	-0.9342	0.0953	0.2156	0.7715	0.4574	-0.0922	-0.0906	0.3909	-0.0027	0.0372	0.3141	0.1959	0.4271	-32.1985	-38.0099	-14.3413
10	8.6582	1.6317	4.6555	6.5861	-0.0974	2.9156	-0.4208	0.0223	0.3155	-0.3307	0.3646	0.6469	0.0383	-0.1372	-0.003	0.3067	-0.0266	0.0524	0.3572	0.1625	0.2737	-35.118	-27.4365	-19.1652
11	1.2696	-1.8583	2.2666	2.9068	-3.8762	6.6475	0.1453	-0.1461	-0.2771	-0.1299	0.128	0.3066	0.2528	-0.0213	-0.1208	0.3083	-0.0542	0.0151	0.3033	0.0896	0.2567	-30.3001	-24.0052	-22.8623
12	5.1108	0.9789	2.561	0.3986	0.1367	5.1452	-0.1648	0.0162	0.8935	-0.2574	-0.1594	0.6233	-0.8096	-0.1047	0.2421	0.3533	0.0159	0.0256	0.2927	0.1007	0.3547	-33.8198	7.0722	-40.0385
13	1.5655	0.9066	0.3897	2.5174	-0.1633	1.5551	0.1448	-0.0482	-0.0639	0.1536	-0.008	0.2049	0.1532	-0.0962	-0.1569	0.2244	0.0139	0.0012	0.2087	0.0703	0.1974	-30.1987	-5.0139	-34.5393
14	3.6448	1.508	-0.6217	2.6399	-3.6913	5.5343	0.057	0.0536	-0.3251	-0.2846	-0.1466	-0.379	0.2404	0.2549	0.2294	0.135	0.055	-0.0091	0.2232	0.0325	0.1857	-24.5805	-4.0682	-41.5685
15	3.043	-2.5926	3.5963	3.6922	-5.0226	6.4477	-0.0379	0.0344	0.0904	-0.2696	0.2111	0.0544	0.0672	-0.2425	-0.1165	0.1794	-0.0126	0.0071	0.2715	0.072	0.2522	-32.6031	1.6701	-48.3979
16	2.7785	0.5922	-0.2555	1.8699	-0.0447	1.6521	0.0125	0.1426	-0.0749	-0.0387	0.0423	-0.2389	0.1031	0.1757	-0.0487	0.1049	0.0255	-0.0183	0.167	-0.0559	0.1846	5.2391	-20.7695	-68.8971
17	2.2644	2.0287	1.4524	2.5129	1.4426	1.049	-0.0003	0.1554	-0.092	0.1324	0.1772	-0.2941	0.0747	0.1676	-0.1612	0.1132	0.0148	-0.0206	0.1598	-0.0309	0.2169	3.969	-15.1825	-60.8624
18	8.3756	-3.8175	-3.016	3.2271	2.0953	3.8485	0.119	-0.3335	0.3718	0.1323	-0.0064	-0.1971	-0.0872	-0.0749	-0.1019	0.1472	-0.0394	-0.0458	0.1689	-0.0585	0.2136	0.027	7.0869	-44.2901
19	5.9809	-1.8326	-2.022	1.7697	1.1457	3.6397	-0.1181	-0.7912	0.2075	0.315	0.1838	-0.2098	-0.1349	0.1501	-0.0746	0.2052	-0.0164	-0.0333	0.1945	-0.0259	0.2257	1.0406	5.1242	-41.2987
20	8.0134	-3.2008	-5.6091	6.1786	4.0231	5.1822	0.3792	0.3352	0.4245	-0.4745	-0.1617	-0.0384	-0.7658	-0.1217	-0.4539	0.0994	0.0025	-0.0892	0.1996	0.0072	0.182	-18.9715	-7.9247	-70.8347
21	3.4408	0.3138	1.0046	2.7857	1.0171	3.5442	-0.0162	0.2833	-0.0427	-0.1019	-0.0061	0.1138	0.0337	0.0049	-0.0029	0.0857	-0.0091	0.006	0.133	-0.0195	0.1294	-17.7003	-18.679	-73.7088
22	8.7743	-0.6636	-4.6854	4.2808	3.7306	7.0562	0.0142	-0.2308	0.1237	0.0574	-0.0215	0.1773	0.0939	0.1672	-0.0275	0.0858	0.021	-0.0267	0.0685	0.0193	0.1252	-16.7857	-12.2873	-64.405
23	0.2877	0.0915	-0.3976	1.5937	0.8681	1.1359	0.0344	0.0304	0.1124	0.1117	0.0806	-0.0587	-0.0102	0.1127	-0.098	0.1168	0.0064	-0.0117	0.1537	-0.0049	0.2053	-7.7715	3.1208	-58.6961
24	3.882	1.832	-0.0636	1.3263	0.0371	0.8279	0.0331	0.0576	0.0914	-0.0268	-0.0337	-0.0437	-0.0462	0.042	0.0134	0.109	0.0186	0.0109	0.1016	0.0033	0.2082	-3.3326	10.534	-55.9187
25	3.0858	3.4346	3.0126	7.4945	2.2584	2.9712	-0.2027	0.2517	0.1176	-0.2952	0.1749	-0.3173	-0.2424	-0.0241	0.1831	0.134	0.0143	0.035	0.1572	0.0337	0.2287	-5.8361	17.2999	-60.7001
26	0.5558	-0.6065	-1.1737	3.6248	1.9367	2.4891	0.1104	-0.1451	0.2447	0.4452	0.1803	-0.3351	-0.301	0.0477	-0.4002	0.3433	0.0283	-0.0118	0.2044	-0.0078	0.5292	-5.4453	23.8711	-49.7256
27	3.6009	-0.9972	1.3412	3.6971	-0.7452	8.7933	0.0291	-0.4668	-0.0491	0.1704	0.1716	0.258	-0.6864	-0.4204	-0.153	0.191	0.0655	0.0408	0.4028	0.042	0.2468	-10.6956	-29.8109	-21.2765
28	8.04	-1.8335	5.9677	5.5444	-4.9303	8.7465	0.1106	0.6514	-0.2469	-0.8134	-0.2671	0.5291	0.0505	-0.8698	0.0612	0.1598	-0.0486	0.0052	0.4494	0.1004	0.2857	-15.3232	-37.0706	-35.783
29	5.7525	5.7861	0.2117	7.7619	2.6625	3.1338	0.1142	-0.4564	-0.5275	0.2613	-0.0286	-0.421	0.0962	0.171	-0.1509	0.2586	0.0303	-0.0362	0.262	0.073	0.227	-1.0828	-35.9067	-26.8949
30	3.0205	1.2711	-0.4664	3.3129	2.2081	5.874	-0.0565	-0.4384	-0.3916	0.3025	-0.0194	0.1342	0.4777	-0.3341	-0.0289	0.2184	0.0319	0.0064	0.3638	0.146	0.2856	-8.1338	-39.9019	-23.4584
31	1.085	0.4614	0.2923	2.28	1.6996	3.799	0.0611	-0.3995	-0.0308	0.1677	-0.1601	0.2362	-0.1427	-0.5069	0.0654	0.2797	0.07	0.0043	0.4156	0.0729	0.2305	-6.3543	-27.698	-23.2849
32	7.3913	2.7413	-1.1664	8.8728	-1.2921	8.4979	0.5937	-0.3649	0.9338	0.2207	0.2576	-0.6046	-1.4478	0.339	-0.6737	0.7506	-0.0088	0.1541	0.4207	-0.2084	0.4707	15.2807	-0.4356	-12.7842
33	4.9065	3.694	-1.7181	3.3435	-2.2292	3.6032	0.3924	-0.0563	0.7024	0.0214	-0.0232	0.5757	-0.8597	-1.011	-0.3217	0.6774	0.1742	0.1202	0.6412	-0.0447	0.3949	1.049	-8.5734	-12.0358
34	2.7096	1.8985	-0.7423	8.2811	-0.5084	3.5197	0.215	-0.1929	0.7192	0.3313	0.0317	0.4145	-1.1113	-0.8319	-0.1967	0.727	0.2301	0.0662	0.5979	-0.0326	0.4379	3.7771	-3.4436	-12.2703
35	3.6958	0.4202	0.9706	6.6417	0.9809	4.7283	0.0348	-0.1096	-0.3908	0.5308	0.1189	-0.2603	0.1715	0.1683	-0.1113	0.2293	-0.0035	-0.0041	0.2384	0.0182	0.1499	11.9105	-34.5001	-40.9126
36	2.1756	-0.2235	-0.1845	2.58	0.5463	3.5478	0.0099	-0.0459	-0.073	-0.0879	0.018	0.0746	-0.3093	0.0026	-0.0246	0.2616	-0.0058	-0.043	0.1055	0.0148	0.1737	4.8261	-32.0351	-44.722
37	1.3472	0.7127	0.8646	1.8056	0.4926	1.0557	-0.0591	-0.2452	0.1521	-0.0475	0.0377	0.1235	-0.3849	-0.0095	0.0353	0.4143	-0.0101	0.0167	0.2546	-0.0333	0.2215	11.1452	-19.0406	-27.9746
38	1.5569	0.5336	0.4512	1.3283	-1.3257	5.9418	0.0342	-0.308	0.1045	0.0713	0.017	-0.1201	0.1998	0.0338	-0.0865	0.517	-0.0199	-0.028	0.3266	-0.091	0.2575	17.7826	-13.9695	-14.7032
39	1.37	2.7911	0.3139	5.4908	0.6624	0.0407	0.3168	-0.153	-0.0654	0.5933	-0.6688	0.0624	0.3135	-0.5416	0.3627	0.56	-0.0665	-0.0666	0.5981	-0.1559	0.3744	25.1597	-3.3872	-8.8622

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	chain 'L' and (resid 1 through 37 )	L	1 - 37
2	X-RAY DIFFRACTION	2	chain 'L' and (resid 38 through 95 )	L	38 - 95
3	X-RAY DIFFRACTION	3	chain 'L' and (resid 96 through 118 )	L	96 - 118
4	X-RAY DIFFRACTION	4	chain 'L' and (resid 119 through 168 )	L	119 - 168
5	X-RAY DIFFRACTION	5	chain 'L' and (resid 169 through 219 )	L	169 - 219
6	X-RAY DIFFRACTION	6	chain 'H' and (resid 1 through 17 )	H	1 - 17
7	X-RAY DIFFRACTION	7	chain 'H' and (resid 18 through 41 )	H	18 - 41
8	X-RAY DIFFRACTION	8	chain 'H' and (resid 42 through 60 )	H	42 - 60
9	X-RAY DIFFRACTION	9	chain 'H' and (resid 61 through 83 )	H	61 - 83
10	X-RAY DIFFRACTION	10	chain 'H' and (resid 84 through 98 )	H	84 - 98
11	X-RAY DIFFRACTION	11	chain 'H' and (resid 99 through 119 )	H	99 - 119
12	X-RAY DIFFRACTION	12	chain 'H' and (resid 120 through 134 )	H	120 - 134
13	X-RAY DIFFRACTION	13	chain 'H' and (resid 135 through 188 )	H	135 - 188
14	X-RAY DIFFRACTION	14	chain 'H' and (resid 189 through 203 )	H	189 - 203
15	X-RAY DIFFRACTION	15	chain 'H' and (resid 204 through 220 )	H	204 - 220
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 1 through 95 )	B	1 - 95
17	X-RAY DIFFRACTION	17	chain 'B' and (resid 96 through 118 )	B	96 - 118
18	X-RAY DIFFRACTION	18	chain 'B' and (resid 119 through 155 )	B	119 - 155
19	X-RAY DIFFRACTION	19	chain 'B' and (resid 156 through 219 )	B	156 - 219
20	X-RAY DIFFRACTION	20	chain 'A' and (resid 1 through 17 )	A	1 - 17
21	X-RAY DIFFRACTION	21	chain 'A' and (resid 18 through 83 )	A	18 - 83
22	X-RAY DIFFRACTION	22	chain 'A' and (resid 84 through 98 )	A	84 - 98
23	X-RAY DIFFRACTION	23	chain 'A' and (resid 99 through 134 )	A	99 - 134
24	X-RAY DIFFRACTION	24	chain 'A' and (resid 135 through 190 )	A	135 - 190
25	X-RAY DIFFRACTION	25	chain 'A' and (resid 191 through 203 )	A	191 - 203
26	X-RAY DIFFRACTION	26	chain 'A' and (resid 204 through 220 )	A	204 - 220
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 1 through 18 )	D	1 - 18
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 19 through 37 )	D	19 - 37
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 38 through 53 )	D	38 - 53
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 54 through 95 )	D	54 - 95
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 96 through 118 )	D	96 - 118
32	X-RAY DIFFRACTION	32	chain 'D' and (resid 119 through 134 )	D	119 - 134
33	X-RAY DIFFRACTION	33	chain 'D' and (resid 135 through 155 )	D	135 - 155
34	X-RAY DIFFRACTION	34	chain 'D' and (resid 156 through 219 )	D	156 - 219
35	X-RAY DIFFRACTION	35	chain 'C' and (resid 1 through 34 )	C	1 - 34
36	X-RAY DIFFRACTION	36	chain 'C' and (resid 35 through 83 )	C	35 - 83
37	X-RAY DIFFRACTION	37	chain 'C' and (resid 84 through 134 )	C	84 - 134
38	X-RAY DIFFRACTION	38	chain 'C' and (resid 135 through 203 )	C	135 - 203
39	X-RAY DIFFRACTION	39	chain 'C' and (resid 204 through 220 )	C	204 - 220

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