PDB-6o41: Crystal structure of the unbound PGZL1 germline Fab fragment (PGZ...

ID or keywords:

Entry

Database: PDB / ID: 6o41

Title

Crystal structure of the unbound PGZL1 germline Fab fragment (PGZL1_gVmDmJ)

Components

Immunoglobulin G-binding protein G (DOMAIN III)
germline PGZL1_gVmDmJ heavy chain
germline PGZL1_gVmDmJ light chain

Keywords

IMMUNE SYSTEM / germline PGZL1 ANTI HIV-1 / GP41 MPER / MEMBRANE LIPIDS / BROADLY NEUTRALISING HIV-1 ANTIBODY

Function / homology

Function and homology information

IgG binding / extracellular region
Similarity search - Function

Biological species

Homo sapiens (human)

Streptococcus sp. group G (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.465 Å

Authors

Irimia, A. / Wilson, I.A.

Funding support

United States, 1items

Citation

Journal: Nat Commun / Year: 2019
Title: An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Authors: Lei Zhang / Adriana Irimia / Lingling He / Elise Landais / Kimmo Rantalainen / Daniel P Leaman / Thomas Vollbrecht / Armando Stano / Daniel I Sands / Arthur S Kim / / Pascal Poignard / ...
Abstract: The membrane-proximal external region (MPER) of HIV-1 envelope glycoprotein (Env) can be targeted by neutralizing antibodies of exceptional breadth. MPER antibodies usually have long, hydrophobic ...

History

Deposition	Feb 27, 2019	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Dec 4, 2019	Provider: repository / Type: Initial release
Revision 1.1	Dec 11, 2019	Group: Database references / Category: citation / citation_author Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.identifier_ORCID
Revision 1.2	Oct 11, 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

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	6o41.cif.gz	588.1 KB	Display	PDBx/mmCIF format
PDB format	pdb6o41.ent.gz	486.9 KB	Display	PDB format
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Validation report

Summary document	6o41_validation.pdf.gz	503.3 KB	Display	wwPDB validaton report
Full document	6o41_full_validation.pdf.gz	517.1 KB	Display
Data in XML	6o41_validation.xml.gz	55.7 KB	Display
Data in CIF	6o41_validation.cif.gz	78.2 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/o4/6o41 ftp://data.pdbj.org/pub/pdb/validation_reports/o4/6o41	HTTPS FTP

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Related structure data

Related structure data	0620C 6o3dSC 6o3gC 6o3jC 6o3kC 6o3lC 6o3uC 6o42C S: Starting model for refinement C: citing same article (ref.)
Similar structure data	1fvv-1 5mn6-d 5cyi-1 6guf-1 4ndi-d 1h1q-2 6jnp-d 6guc-2 4bcq-2 4uub-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) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

Related structure data

6o3dSC

S: Starting model for refinement

C: citing same article (ref.)

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: germline PGZL1_gVmDmJ light chain

H: germline PGZL1_gVmDmJ heavy chain

A: germline PGZL1_gVmDmJ light chain

B: germline PGZL1_gVmDmJ heavy chain

C: germline PGZL1_gVmDmJ light chain

D: germline PGZL1_gVmDmJ heavy chain

M: Immunoglobulin G-binding protein G (DOMAIN III)

N: Immunoglobulin G-binding protein G (DOMAIN III)

O: Immunoglobulin G-binding protein G (DOMAIN III)

hetero molecules

165 kDa, 9 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

L: germline PGZL1_gVmDmJ light chain

H: germline PGZL1_gVmDmJ heavy chain

M: Immunoglobulin G-binding protein G (DOMAIN III)

hetero molecules

defined by author
55.4 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

A: germline PGZL1_gVmDmJ light chain

B: germline PGZL1_gVmDmJ heavy chain

O: Immunoglobulin G-binding protein G (DOMAIN III)

hetero molecules

defined by author
55 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

C: germline PGZL1_gVmDmJ light chain

D: germline PGZL1_gVmDmJ heavy chain

N: Immunoglobulin G-binding protein G (DOMAIN III)

hetero molecules

defined by author
55 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	78.840, 107.490, 131.960
Angle α, β, γ (deg.)	90.00, 94.61, 90.00
Int Tables number	4
Space group name H-M	P12₁1

#1: Antibody	germline PGZL1_gVmDmJ light chain Mass: 23434.900 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): Expi 293F / Production host: Homo sapiens (human)
#2: Antibody	germline PGZL1_gVmDmJ heavy chain Mass: 23939.955 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): Expi 293F / Production host: Homo sapiens (human)
#3: Antibody	Immunoglobulin G-binding protein G (DOMAIN III) / IgG-binding protein G Mass: 7348.088 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptococcus sp. group G (bacteria) / Gene: spg / Plasmid: PET26B / Production host: Escherichia coli (E. coli) / References: UniProt: P19909
#4: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 13 / Source method: obtained synthetically / Formula: C₃H₈O₃
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 396 / 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: 3.48 Å³/Da / Density % sol: 64.43 %
Crystal grow	Temperature: 293.15 K / Method: vapor diffusion, sitting drop / Details: 20% PEG3350, 0.2 M lithium citrate

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: SSRL / Beamline: BL12-2 / Wavelength: 0.97946 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jul 21, 2018
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97946 Å / Relative weight: 1
Reflection	Resolution: 2.465→39.67 Å / Num. obs: 77485 / % possible obs: 97.7 % / Redundancy: 3.5 % / B_iso Wilson estimate: 50 Å² / CC_1/2: 0.995 / R_pim(I) all: 0.062 / R_sym value: 0.099 / Net I/σ(I): 9.2
Reflection shell	Resolution: 2.465→2.53 Å / Redundancy: 3.4 % / Num. unique obs: 5460 / CC_1/2: 0.526 / R_pim(I) all: 0.597 / R_sym value: 0.947 / % possible all: 94

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Processing

Software

Name	Version	Classification
PHENIX	(1.12_2829: ???)	refinement
XDS	20180126	data reduction
XSCALE	20180126	data scaling
PHASER	2.8.2	phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 6O3D

6o3d

Resolution: 2.465→39.67 Å / SU ML: 0.35 / Cross valid method: FREE R-VALUE / σ(F): 1.37 / Phase error: 23.66

	R_factor	Num. reflection	% reflection
R_free	0.2187	3869	5 %
R_work	0.169	-	-
obs	0.1714	77455	97.76 %

Solvent computation

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

Displacement parameters

B_iso mean: 52 Å²

Refinement step

Cycle: LAST / Resolution: 2.465→39.67 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	11193	0	78	396	11667

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.005	11613
X-RAY DIFFRACTION	f_angle_d	0.82	15791
X-RAY DIFFRACTION	f_dihedral_angle_d	16.369	6982
X-RAY DIFFRACTION	f_chiral_restr	0.05	1784
X-RAY DIFFRACTION	f_plane_restr	0.005	2014

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 (%)
2.465-2.4951	0.3892	126	0.2936	2363	X-RAY DIFFRACTION	89
2.4951-2.5266	0.3656	121	0.2887	2645	X-RAY DIFFRACTION	98
2.5266-2.5599	0.3012	144	0.2732	2631	X-RAY DIFFRACTION	98
2.5599-2.5949	0.2895	136	0.265	2550	X-RAY DIFFRACTION	96
2.5949-2.632	0.3356	124	0.2573	2503	X-RAY DIFFRACTION	93
2.632-2.6713	0.3264	148	0.2552	2511	X-RAY DIFFRACTION	95
2.6713-2.713	0.2993	129	0.2483	2690	X-RAY DIFFRACTION	99
2.713-2.7575	0.2861	145	0.2324	2643	X-RAY DIFFRACTION	99
2.7575-2.805	0.2878	136	0.2278	2680	X-RAY DIFFRACTION	99
2.805-2.856	0.2522	145	0.2287	2649	X-RAY DIFFRACTION	99
2.856-2.9109	0.2825	129	0.2252	2690	X-RAY DIFFRACTION	99
2.9109-2.9703	0.2849	142	0.211	2633	X-RAY DIFFRACTION	99
2.9703-3.0349	0.2743	150	0.2071	2679	X-RAY DIFFRACTION	99
3.0349-3.1055	0.2715	132	0.1999	2639	X-RAY DIFFRACTION	99
3.1055-3.1831	0.242	141	0.1894	2642	X-RAY DIFFRACTION	99
3.1831-3.2691	0.2488	139	0.1866	2660	X-RAY DIFFRACTION	99
3.2691-3.3653	0.2371	136	0.1814	2615	X-RAY DIFFRACTION	98
3.3653-3.4738	0.2349	142	0.1812	2554	X-RAY DIFFRACTION	95
3.4738-3.5979	0.2169	141	0.1642	2655	X-RAY DIFFRACTION	99
3.5979-3.7419	0.2255	142	0.1621	2670	X-RAY DIFFRACTION	99
3.7419-3.912	0.2279	135	0.1521	2664	X-RAY DIFFRACTION	99
3.912-4.1181	0.1965	146	0.1454	2647	X-RAY DIFFRACTION	99
4.1181-4.3758	0.1729	141	0.1194	2666	X-RAY DIFFRACTION	99
4.3758-4.7131	0.1367	132	0.1056	2631	X-RAY DIFFRACTION	98
4.7131-5.1865	0.133	146	0.1134	2579	X-RAY DIFFRACTION	96
5.1865-5.9349	0.2	138	0.1378	2698	X-RAY DIFFRACTION	99
5.9349-7.4691	0.2046	142	0.1681	2682	X-RAY DIFFRACTION	99
7.4691-39.6748	0.1802	141	0.154	2717	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	4.0244	0.164	0.2341	2.3124	0.5597	3.5948	0.0436	0.075	-0.0693	-0.1362	-0.0038	-0.0892	0.1626	-0.0126	0.0032	0.3704	-0.0454	0.0079	0.3003	-0.0575	0.3481	-30.6731	-0.1118	-8.9355
2	1.5003	-0.0495	-0.6412	3.664	1.6674	2.64	-0.1788	0.1034	-0.2405	0.1042	-0.0135	0.1301	0.4448	-0.1647	0.1725	0.2607	-0.0126	-0.0195	0.3284	0.0553	0.3236	-30.4102	4.2506	-0.5881
3	1.6258	0.8034	-0.536	6.0117	1.1564	0.5275	0.1648	-0.0729	0.1304	-0.1458	-0.222	0.2607	-0.182	-0.2975	0.0872	0.4154	0.0369	0.0049	0.4757	0.0074	0.3051	-36.8869	26.5871	9.301
4	3.1628	0.8639	0.2659	6.3439	1.3468	2.0926	-0.1046	-0.1915	0.3623	0.1325	-0.0194	0.3302	-0.1028	-0.2557	0.11	0.3291	0.0516	-0.0172	0.3915	-0.0146	0.2654	-37.5217	27.3228	13.8901
5	3.6711	0.2167	-0.6347	4.2009	1.008	4.8194	-0.0546	0.1244	-0.1743	-0.4715	0.1894	-0.4412	-0.0403	0.3839	-0.0928	0.3498	-0.0086	0.0734	0.416	-0.0441	0.4192	-8.5634	8.4295	-9.825
6	3.3936	-0.0766	0.0221	3.881	-0.6316	3.752	0.1582	0.1786	-0.7337	0.1933	-0.1836	-0.4085	0.8288	0.3028	-0.2711	0.3675	0.0614	0.0751	0.4241	-0.0622	0.4289	-13.5587	-1.2428	-7.9377
7	2.9056	0.0356	-1.2032	4.7661	1.0306	5.4657	0.664	-0.4361	0.3016	0.2599	-0.1822	0.2659	-0.7715	-0.0108	-0.0867	0.3509	0.064	-0.0356	0.3193	-0.0388	0.3941	-22.3916	26.7242	17.3769
8	2.1586	1.1842	-1.9156	2.3356	0.2874	4.3804	0.0021	-0.0829	-0.12	0.2271	0.0175	-0.0743	-0.0547	-0.1114	-0.0463	0.3301	0.0179	-0.0158	0.3311	0.0079	0.3527	-22.4753	20.6011	19.86
9	1.6916	-0.6199	0.8718	2.5779	-0.5942	2.6239	0.0737	-0.202	0.233	0.3736	0.1154	0.1154	-0.3356	0.2782	-0.17	0.5187	-0.1079	-0.0276	0.4322	-0.0285	0.415	-36.2763	6.2916	55.9366
10	5.7637	-1.0762	1.229	6.3147	-1.303	3.5175	0.1751	0.1355	0.0278	0.322	0.0217	-0.6425	0.1428	0.3811	-0.1499	0.4116	-0.085	-0.0077	0.3485	0.022	0.3908	-28.4007	-3.042	52.9333
11	5.3347	-1.7267	2.274	3.1494	1.8758	4.4843	0.3389	0.8674	0.4608	-0.1998	0.0058	-0.9651	-0.7765	0.9897	0.2147	0.3034	-0.089	-0.0419	0.4713	0.0494	0.4701	-20.4059	3.3991	52.754
12	4.4627	1.0243	0.34	4.254	0.0814	2.0848	0.1171	-0.312	0.6949	0.136	-0.2748	-0.077	-0.2966	0.3794	0.2214	0.4465	-0.1417	-0.0831	0.4124	-0.0569	0.4516	-29.3106	7.9203	58.3834
13	4.5115	-0.2795	2.518	4.6417	0.3065	3.7692	-0.2962	0.3799	0.2403	-0.6578	0.0878	-0.3071	0.0239	0.3757	0.2149	0.3964	-0.0663	0.0439	0.3795	0.0247	0.3385	-30.8141	3.143	47.5341
14	1.8805	0.9977	1.6141	2.9546	0.3922	3.4711	0.1935	0.0055	-0.2008	0.208	-0.0347	0.0709	0.1446	0.2243	-0.0695	0.2655	-0.0517	-0.008	0.3318	-0.0101	0.3591	-38.343	0.4949	49.5236
15	3.3001	1.9158	0.4475	5.8231	0.4129	3.3269	-0.1079	0.2343	-0.1241	-0.6131	0.1328	0.3966	-0.0266	-0.406	0.0304	0.4486	-0.0848	-0.1346	0.5133	-0.0015	0.581	-58.3929	-15.0718	23.9532
16	4.491	3.3197	0.8071	5.5696	-0.0496	2.4749	0.0733	-0.4035	0.7267	0.302	-0.1599	1.0369	-0.1746	-0.5353	0.167	0.4114	0.0123	0.0241	0.4833	-0.0199	0.5439	-58.0614	-5.0686	34.5676
17	5.1575	3.0908	0.6968	5.8726	0.8349	1.6992	-0.046	-0.1608	0.5019	-0.4299	-0.1554	1.0701	-0.192	-0.3038	0.1779	0.4197	-0.0135	-0.1008	0.4563	-0.0114	0.5196	-58.7122	-5.1584	29.9324
18	4.1773	-0.2794	0.9111	2.3643	0.1428	5.1069	0.1068	-0.0201	-0.3119	0.2152	0.0468	-0.4068	0.6206	0.4763	-0.1676	0.49	0.0383	-0.1551	0.3559	0.001	0.4685	-27.9097	-21.4418	53.644
19	5.6759	-0.7898	2.6237	4.3765	-1.0193	5.8293	0.2595	-0.5565	-0.3409	0.3143	0.0226	0.1278	0.6958	-0.4047	-0.1913	0.5368	-0.0273	-0.0227	0.3417	0.0575	0.3414	-31.551	-19.5341	62.4509
20	7.4838	1.2743	3.9212	1.6242	-0.2622	4.4663	0.8914	-1.2917	-0.1131	0.04	-0.3821	-0.0072	0.7365	-0.5475	-0.3099	0.7058	-0.0568	-0.1155	0.4625	0.0509	0.4022	-37.4087	-24.4202	56.4065
21	4.048	-0.0611	-1.2264	4.1111	-0.7036	2.6648	0.0467	-0.1436	0.0085	0.0411	-0.0147	-0.7141	0.0432	0.3959	0.0558	0.3874	0.0222	-0.0444	0.4032	0.0246	0.4333	-25.7935	-13.0296	55.1642
22	1.8985	0.6159	-0.2919	3.6168	-0.6528	4.6033	0.0134	0.2777	0.0509	-0.2459	0.0699	0.0251	-0.1397	0.0543	-0.1614	0.3844	-0.0894	-0.0407	0.425	-0.0188	0.3507	-46.142	-16.3012	26.1467
23	1.301	0.3441	-0.1598	2.3754	0.7649	4.6131	-0.0039	-0.0555	0.1054	0.3559	-0.0573	0.2556	0.3266	-0.2766	0.0554	0.3407	0.072	0.0408	0.4865	-0.0228	0.4693	-97.6196	-15.263	93.9237
24	3.8604	-0.1919	-1.4495	3.4077	1.4684	4.1812	0.2381	0.0736	0.2194	-0.1738	-0.0625	0.3438	-0.4516	-0.2795	-0.1995	0.3429	0.1045	0.0229	0.4223	0.006	0.4495	-96.8669	-5.8649	91.7499
25	3.4205	-0.137	-0.3993	2.5753	1.1623	1.2313	-0.0521	0.1608	-0.1491	-0.4268	0.0765	-0.4179	0.0508	0.1622	-0.095	0.3545	0.0534	0.0176	0.3142	0.0446	0.2845	-74.2537	-22.9966	70.9652
26	5.2158	-1.2026	0.6133	2.3862	1.3589	1.2904	0.057	-0.1866	-0.1985	-0.199	-0.0418	0.1217	0.0952	-0.0386	0.0239	0.4383	0.0157	0.022	0.4144	0.0791	0.356	-78.1955	-25.3848	76.3581
27	6.7089	-0.0799	-0.064	3.0913	-0.1565	1.535	-0.1707	0.1428	-0.6488	-0.4601	-0.0146	-0.3619	0.2319	0.2547	0.1722	0.4994	0.0606	0.0793	0.3571	-0.0228	0.4514	-68.0167	-31.9305	71.5473
28	2.8293	-1.6948	-3.1278	3.0576	1.5778	5.0327	0.3819	-0.4867	1.5285	-0.3965	0.1494	-0.4124	-0.7347	0.7078	-0.5615	0.5138	-0.1875	0.1645	0.4071	-0.1315	0.7471	-73.4381	4.4235	90.9788
29	1.9665	-0.7593	0.0433	3.9286	0.1757	4.6205	0.3197	-0.5431	1.3452	0.0456	0.0984	-0.1354	-1.0347	0.0513	-0.3596	0.6004	0.0339	0.1875	0.5005	-0.2433	0.995	-82.0766	7.8321	96.0579
30	3.0089	-0.7808	0.1286	5.6184	1.1917	3.2985	0.2263	-1.1268	1.0031	0.1338	0.266	-0.6712	-0.3835	0.5718	-0.2685	0.6191	-0.1558	0.1971	0.7988	-0.38	0.8288	-78.7073	4.1177	102.2499
31	4.2851	1.0049	-1.0097	4.1877	0.9192	4.5991	0.1941	-0.5687	0.6706	0.1912	0.3567	-0.2262	-0.4682	0.6464	-0.55	0.4919	-0.1192	0.0962	0.6322	-0.2059	0.5668	-75.9275	-1.6937	95.823
32	0.2292	0.4076	0.8622	3.0583	-0.3621	4.8091	0.7564	-0.3404	1.7246	-0.0215	-0.0964	0.1508	-1.0649	-0.3682	-0.4601	0.6734	0.007	0.1974	0.3128	-0.0881	0.7034	-88.3888	4.5512	94.3495
33	3.5074	0.3106	0.3599	2.2276	0.0549	4.937	0.0046	0.1504	0.0999	-0.2151	0.0601	0.1148	0.0629	0.0349	-0.1029	0.333	0.0092	0.0551	0.3043	-0.0019	0.3893	-68.8503	-12.8366	71.3504
34	4.793	1.0778	0.4879	3.1931	0.5827	6.4633	0.1292	0.494	0.2209	-0.4185	0.1291	-0.1912	0.1858	0.1331	-0.0895	0.4186	0.024	0.0753	0.3811	0.0487	0.4301	-68.8061	-11.1503	63.6203
35	2.3843	0.9628	-4.0055	4.8304	0.279	7.5345	-0.3531	-0.0868	-0.1526	-0.5593	0.3002	-0.2413	-0.0994	0.8985	-0.0274	0.4363	-0.1376	-0.0006	0.5432	-0.049	0.378	-4.5741	28.1165	21.2513
36	6.3837	1.7634	-0.5183	4.7965	0.7848	5.5873	-0.5207	0.6131	0.295	-0.7459	0.6269	0.4476	-0.2676	-0.1948	-0.016	0.5129	-0.156	-0.065	0.4241	0.072	0.3583	-6.1565	35.5592	22.1065
37	2.7793	3.1134	1.0328	6.2956	-2.7884	6.2643	0.2879	0.2274	0.277	0.8419	-0.0209	-0.3479	0.2006	-0.6705	-0.3715	0.5627	-0.0671	0.0004	0.4295	-0.027	0.4349	-3.7389	31.2271	29.3506
38	7.6415	0.5319	1.5018	4.573	1.2716	6.5547	0.0874	-0.8941	0.0179	0.5467	0.1655	0.1767	-0.0295	0.4071	-0.3318	0.4591	0.0002	0.1349	0.5621	0.0475	0.4118	-51.5839	-4.1758	69.5718
39	3.8193	-1.7469	-1.3641	4.7527	-0.5334	4.7767	0.0264	0.3339	0.0822	0.1066	0.2409	-0.1368	-0.1442	-0.1637	-0.1202	0.4001	-0.0381	0.0809	0.4486	0.0215	0.4597	-48.6922	-0.3532	62.5897
40	5.0859	0.1765	-1.9381	7.3455	-1.4844	3.51	0.1082	-0.1077	0.2361	-0.5676	-0.0135	-1.0692	0.9303	0.4563	-0.3336	0.5215	-0.0971	-0.117	0.4548	-0.1081	0.3516	-44.0343	-34.1808	23.4903
41	1.2472	0.553	-0.5565	9.2141	-5.8305	3.9296	-0.2981	-0.2095	-0.3171	0.0488	0.1378	-0.7166	1.4236	-0.0965	0.1083	0.8346	-0.0855	-0.1216	0.5662	-0.0349	0.458	-43.498	-35.9692	29.1022
42	3.7392	0.5106	-0.3136	2.2731	-2.8029	5.0921	0.1547	0.0137	-0.0164	1.236	0.1332	0.9404	-0.1109	0.0743	-0.2825	0.6804	-0.0516	0.036	0.5063	-0.0233	0.4403	-52.5143	-35.7005	25.4427
43	4.2968	0.3727	1.6249	2.7187	0.8531	5.4479	0.2579	0.3922	-0.0729	0.0499	-0.2762	-0.3974	0.5825	0.5593	0.2645	0.4297	-0.0165	0.0159	0.3478	-0.0278	0.4314	-42.9619	-43.0884	21.495
44	0.4485	0.9657	-0.1192	5.4843	1.7968	1.27	-0.4017	0.5479	0.4	-1.2078	0.3182	0.2205	0.2028	-0.1066	-0.0186	0.4989	-0.0159	-0.1107	0.5991	-0.088	0.3247	-47.3606	-35.2732	15.0542

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'L' and (resid 2 through 48 )
2	X-RAY DIFFRACTION	2	chain 'L' and (resid 49 through 128 )
3	X-RAY DIFFRACTION	3	chain 'L' and (resid 129 through 163 )
4	X-RAY DIFFRACTION	4	chain 'L' and (resid 164 through 213 )
5	X-RAY DIFFRACTION	5	chain 'H' and (resid 1 through 95 )
6	X-RAY DIFFRACTION	6	chain 'H' and (resid 96 through 111 )
7	X-RAY DIFFRACTION	7	chain 'H' and (resid 112 through 136 )
8	X-RAY DIFFRACTION	8	chain 'H' and (resid 137 through 229 )
9	X-RAY DIFFRACTION	9	chain 'A' and (resid 2 through 29 )
10	X-RAY DIFFRACTION	10	chain 'A' and (resid 30 through 48 )
11	X-RAY DIFFRACTION	11	chain 'A' and (resid 49 through 61 )
12	X-RAY DIFFRACTION	12	chain 'A' and (resid 62 through 75 )
13	X-RAY DIFFRACTION	13	chain 'A' and (resid 76 through 90 )
14	X-RAY DIFFRACTION	14	chain 'A' and (resid 91 through 113 )
15	X-RAY DIFFRACTION	15	chain 'A' and (resid 114 through 128 )
16	X-RAY DIFFRACTION	16	chain 'A' and (resid 129 through 163 )
17	X-RAY DIFFRACTION	17	chain 'A' and (resid 164 through 213 )
18	X-RAY DIFFRACTION	18	chain 'B' and (resid 1 through 39 )
19	X-RAY DIFFRACTION	19	chain 'B' and (resid 40 through 75 )
20	X-RAY DIFFRACTION	20	chain 'B' and (resid 76 through 87 )
21	X-RAY DIFFRACTION	21	chain 'B' and (resid 88 through 111 )
22	X-RAY DIFFRACTION	22	chain 'B' and (resid 112 through 229 )
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 2 through 29 )
24	X-RAY DIFFRACTION	24	chain 'C' and (resid 30 through 102 )
25	X-RAY DIFFRACTION	25	chain 'C' and (resid 103 through 137 )
26	X-RAY DIFFRACTION	26	chain 'C' and (resid 138 through 174 )
27	X-RAY DIFFRACTION	27	chain 'C' and (resid 175 through 213 )
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 1 through 17 )
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 18 through 40 )
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 41 through 82 )
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 82A through 95 )
32	X-RAY DIFFRACTION	32	chain 'D' and (resid 96 through 111 )
33	X-RAY DIFFRACTION	33	chain 'D' and (resid 112 through 184 )
34	X-RAY DIFFRACTION	34	chain 'D' and (resid 185 through 228 )
35	X-RAY DIFFRACTION	35	chain 'M' and (resid 5 through 27 )
36	X-RAY DIFFRACTION	36	chain 'M' and (resid 28 through 51 )
37	X-RAY DIFFRACTION	37	chain 'M' and (resid 52 through 64 )
38	X-RAY DIFFRACTION	38	chain 'N' and (resid 5 through 46 )
39	X-RAY DIFFRACTION	39	chain 'N' and (resid 47 through 64 )
40	X-RAY DIFFRACTION	40	chain 'O' and (resid 5 through 17 )
41	X-RAY DIFFRACTION	41	chain 'O' and (resid 18 through 27 )
42	X-RAY DIFFRACTION	42	chain 'O' and (resid 28 through 46 )
43	X-RAY DIFFRACTION	43	chain 'O' and (resid 47 through 55 )
44	X-RAY DIFFRACTION	44	chain 'O' and (resid 56 through 63 )

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