PDB-7dm1: crystal structure of the M.tuberculosis phosphate ABC transport r...

ID or keywords:

Entry

Database: PDB / ID: 7dm1

Title

crystal structure of the M.tuberculosis phosphate ABC transport receptor PstS-1 in complex with Fab p4-36

Components

Phosphate-binding protein PstS 1
heavy chain
light chain

Keywords

TRANSPROT PROTEIN/IMMUNE SYSTEM / antibody / complex / TRANSPORT PROTEIN / TRANSPROT PROTEIN-IMMUNE SYSTEM complex

Function / homology

Function and homology information

phosphate ion transport / phosphate ion transmembrane transport / cellular response to phosphate starvation / phosphate ion binding / ATP-binding cassette (ABC) transporter complex / peptidoglycan-based cell wall / Modulation by Mtb of host immune system / cell adhesion / cell surface / extracellular region ...
Similarity search - Function

Biological species

Mycobacterium tuberculosis H37Rv (bacteria)

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.1 Å

Authors

Ma, B. / Freund, N. / Xiang, Y.

Citation

Journal: Nat Commun / Year: 2021
Title: Human antibodies targeting a Mycobacterium transporter protein mediate protection against tuberculosis.
Authors: Watson, A. / Li, H. / Ma, B. / Weiss, R. / Bendayan, D. / Abramovitz, L. / Ben-Shalom, N. / Mor, M. / Pinko, E. / Bar Oz, M. / Wang, Z. / Du, F. / Lu, Y. / Rybniker, J. / Dahan, R. / Huang, ...

History

Deposition	Dec 1, 2020	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Dec 23, 2020	Provider: repository / Type: Initial release
Revision 1.1	Feb 10, 2021	Group: Database references / Category: citation / citation_author Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _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 29, 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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Download

PDBx/mmCIF format	7dm1.cif.gz	605.1 KB	Display	PDBx/mmCIF format
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Validation report

Summary document	7dm1_validation.pdf.gz	1.3 MB	Display	wwPDB validaton report
Full document	7dm1_full_validation.pdf.gz	1.3 MB	Display
Data in XML	7dm1_validation.xml.gz	64.5 KB	Display
Data in CIF	7dm1_validation.cif.gz	93.7 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/dm/7dm1 ftp://data.pdbj.org/pub/pdb/validation_reports/dm/7dm1	HTTPS FTP

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Related structure data

Related structure data	7dm2C 1pc3S S: Starting model for refinement C: citing same article (ref.)
Similar structure data	7l2c-1 6pxh-2 5ywy-d 5duq-d 6i8s-2 1ha0-d 6yz7-2 6nsc-d 6aop-d 5vli-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 - 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) #261 - Sep 2021 DNA-Sequencing Nanopores similarity (1) #205 - Jan 2017 Nuclear Pore Complex similarity (1) #221 - May 2018 Human Papillomavirus and Vaccines similarity (1) #243 - Mar 2020 Voltage-gated Sodium Channels similarity (1) #22 - Oct 2001 Photosystem I similarity (1) #262 - Oct 2021 Fifty Years of Open Access to PDB Structures similarity (1) #29 - May 2002 Penicillin-binding Proteins similarity (1) #95 - Nov 2007 Multidrug Resistance Transporters similarity (1)

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)
#261 - Sep 2021
DNA-Sequencing Nanopores
similarity (1)
#205 - Jan 2017
Nuclear Pore Complex
similarity (1)
#221 - May 2018
Human Papillomavirus and Vaccines
similarity (1)
#243 - Mar 2020
Voltage-gated Sodium Channels
similarity (1)
#22 - Oct 2001
Photosystem I
similarity (1)
#262 - Oct 2021
Fifty Years of Open Access to PDB Structures
similarity (1)
#29 - May 2002
Penicillin-binding Proteins
similarity (1)
#95 - Nov 2007
Multidrug Resistance Transporters
similarity (1)

Deposited unit

B: Phosphate-binding protein PstS 1

A: Phosphate-binding protein PstS 1

C: light chain

D: heavy chain

E: light chain

F: heavy chain

hetero molecules

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

1

B: Phosphate-binding protein PstS 1

E: light chain

F: heavy chain

hetero molecules

defined by author
Evidence: gel filtration
85.5 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

A: Phosphate-binding protein PstS 1

C: light chain

D: heavy chain

hetero molecules

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

Unit cell

Length a, b, c (Å)	92.605, 78.144, 132.613
Angle α, β, γ (deg.)	90.000, 90.360, 90.000
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	Phosphate-binding protein PstS 1 / PstS-1 / 38-kDa glycolipoprotein / 38-kDa lipoprotein / P38 / Antigen Ag78 / Protein antigen B / Pab Mass: 37023.113 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mycobacterium tuberculosis H37Rv (bacteria) Strain: H37Rv / Gene: pstS1, phoS1, Rv0934, MTCY08D9.05c / Production host: Escherichia coli K-12 (bacteria) / Strain (production host): K-12 / References: UniProt: P9WGU1
#2: Antibody	light chain Mass: 23325.670 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#3: Antibody	heavy chain Mass: 25040.920 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#4: Chemical	ChemComp-PO4 / PHOSPHATE ION Mass: 94.971 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: PO₄ / Feature type: SUBJECT OF INVESTIGATION
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1054 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	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: 2.81 Å³/Da / Density % sol: 56.22 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion, hanging drop Details: 0.2 M sodium iodide, 22% (w/v) polyethylene glycol 3350

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Data collection

Diffraction

Mean temperature: 100 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site:

SSRF

/ Beamline: BL17U / Wavelength: 0.9792 Å

Detector

Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Oct 13, 2019

Radiation

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

Radiation wavelength

Wavelength: 0.9792 Å / Relative weight: 1

Reflection

Resolution: 2.07→92.6 Å / Num. obs: 110145 / % possible obs: 96 % / Redundancy: 3.1 % / CC_1/2: 0.996 / R_merge(I) obs: 0.062 / R_pim(I) all: 0.041 / R_rim(I) all: 0.075 / Net I/σ(I): 10.8 / Num. measured all: 343045 / Scaling rejects: 1

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Num. measured all	Num. unique obs	CC_1/2	R_pim(I) all	R_rim(I) all	Net I/σ(I) obs	% possible all
2.07-2.2	2.3	0.261	39706	17627	0.925	0.205	0.333	2.9	95.4
6.22-92.6	3.2	0.041	13800	4376	0.995	0.028	0.05	21	98.9

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Processing

Software

Name	Version	Classification
Aimless	0.7.4	data scaling
PHENIX	1.17.1_3660	refinement
PDB_EXTRACT	3.27	data extraction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 1pc3

1pc3

Resolution: 2.1→92.6 Å / SU ML: 0.25 / Cross valid method: THROUGHOUT / σ(F): 1.37 / Phase error: 24.96 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2295	5401	5.07 %
R_work	0.1864	101082	-
obs	0.1886	106483	96.18 %

Solvent computation

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

Displacement parameters

B_iso max: 91.47 Å² / B_iso mean: 39.1833 Å² / B_iso min: 3.77 Å²

Refinement step

Cycle: final / Resolution: 2.1→92.6 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	11379	0	0	1054	12433
B_iso mean	-	-	-	45.54	-
Num. residues	-	-	-	-	1534

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / R_factor R_free error: 0 / Total num. of bins used: 30

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
2.1-2.12	0.2856	193	0.2364	3249	3442	94
2.12-2.15	0.2686	164	0.2374	3393	3557	98
2.15-2.18	0.3226	159	0.2347	3522	3681	99
2.18-2.2	0.2976	220	0.237	3430	3650	99
2.2-2.23	0.2907	162	0.2417	3098	3260	90
2.25-2.26	0.2538	34	0.2383	773	807	93
2.26-2.29	0.2892	206	0.2217	3450	3656	99
2.29-2.33	0.2541	211	0.2097	3444	3655	99
2.33-2.37	0.2792	204	0.2108	3455	3659	99
2.37-2.4	0.2599	190	0.2004	3392	3582	99
2.4-2.45	0.2453	203	0.2076	3496	3699	100
2.45-2.49	0.2865	191	0.2077	3458	3649	100
2.49-2.54	0.3082	211	0.2118	3419	3630	100
2.54-2.59	0.2693	184	0.2033	3492	3676	100
2.59-2.65	0.2748	189	0.1985	3486	3675	100
2.65-2.71	0.2713	169	0.2049	3485	3654	99
2.71-2.78	0.2797	169	0.1968	3493	3662	100
2.78-2.85	0.2293	172	0.1947	3492	3664	100
2.85-2.93	0.2255	157	0.1933	3510	3667	99
2.93-3.03	0.2486	171	0.205	3502	3673	99
3.03-3.14	0.2468	173	0.2029	3491	3664	99
3.14-3.26	0.2279	211	0.1844	3459	3670	99
3.26-3.41	0.2001	186	0.182	3493	3679	100
3.41-3.59	0.2113	193	0.1778	3490	3683	99
3.59-3.82	0.2201	189	0.1669	3438	3627	99
3.82-4.11	0.1751	168	0.1524	3534	3702	99
4.11-4.52	0.1715	193	0.138	3493	3686	99
4.52-5.18	0.1684	186	0.1442	3508	3694	99
5.18-6.52	0.2052	180	0.1848	3551	3731	99
6.52-92.6	0.2643	163	0.2118	3586	3749	98

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	1.6894	-0.1922	0.5237	1.5154	-0.8352	0.6443	0.0198	0.2878	-0.2488	-0.3264	0.1638	-0.0705	0.5135	0.3442	-0.2088	0.24	-0.0808	-0.0214	0.3434	-0.0484	0.266	46.24	15.068	-11.389
2	2.1043	0.6819	0.31	1.2852	0.1471	3.3047	-0.1229	0.1101	-0.0795	-0.1294	0.1478	-0.1034	-0.0519	-0.217	-0.0772	0.1142	-0.044	-0.0149	0.176	0.0177	0.2343	49.132	11.22	-2.838
3	2.3667	1.0569	0.4895	1.3642	0.0008	3.8852	0.2864	0.0768	-0.8104	0.0581	-0.0359	-0.4784	0.9886	0.2086	-0.1419	0.3188	-0.0113	-0.084	0.2289	0.0079	0.45	44.181	25.819	3.062
4	0.613	-0.2475	0.5713	0.5236	0.616	2.8176	0.1298	-0.0641	-0.0472	0.0901	0.0456	-0.0439	-0.1064	-0.2069	-0.1795	0.1717	-0.075	-0.0018	0.2218	0.0322	0.2425	40.365	9.601	21.257
5	0.7211	-0.7017	0.6895	1.1803	0.3566	3.5598	0.0328	-0.1401	-0.0822	0.2884	0.0506	0.0885	0.0713	-0.2061	-0.1059	0.2656	-0.1163	0.0424	0.2627	0.0558	0.2909	43.429	8.873	32.582
6	1.9479	0.8021	1.1699	1.2426	0.7157	3.0116	0.3029	-0.1567	-0.2739	0.145	-0.0497	-0.049	0.4304	-0.1112	-0.2724	0.2407	-0.091	-0.0578	0.2218	0.0452	0.3282	38.866	21.139	22.648
7	2.1115	-0.2734	-0.1642	1.6759	0.0327	2.5557	-0.0394	-0.4119	-0.1992	0.1332	-0.0026	0.4829	0.3479	-0.5103	-0.0655	0.3366	-0.1331	0.0431	0.3329	0.0438	0.4666	50.474	19.737	23.87
8	0.2091	0.1433	0.8622	2.3553	0.7312	3.6603	-0.0426	-0.0848	-0.0014	-0.0937	0.0432	0.2718	-0.1889	-0.6812	-0.0425	0.1332	-0.0221	-0.0184	0.2892	0.0559	0.2887	49.356	5.007	19.142
9	2.0476	-1.227	-0.0639	2.2437	0.3058	2.2584	0.0954	-0.0468	0.0378	0.3508	-0.0242	-0.1704	-0.094	0.0449	-0.1059	0.1914	-0.0515	-0.0214	0.213	0.0311	0.2255	34.647	5.262	22.309
10	0.3187	0.5132	0.8747	2.4967	2.5931	3.3171	0.1801	0.2047	-0.3001	0.2065	0.1551	-0.326	0.3748	0.289	-0.4069	0.1708	-0.0173	-0.0727	0.2476	-0.0092	0.3718	28.522	15.707	7.916
11	1.8842	1.6141	2.2176	1.5919	2.217	4.1176	0.1994	0.1568	-0.3101	0.2036	0.0657	-0.0952	0.3675	0.0792	-0.2261	0.1872	-0.0255	-0.0126	0.215	-0.0035	0.3201	36.525	17.527	6.694
12	1.4613	-0.0539	0.4618	0.3971	-0.0858	2.5757	-0.006	0.2894	-0.1816	-0.0075	0.1162	-0.2136	-0.0563	0.3953	-0.1093	0.1652	-0.0719	0.0073	0.295	-0.0192	0.3097	37.318	12.514	-5.134
13	1.5151	1.1206	0.5517	1.6996	1.0251	3.1763	-0.0549	0.2605	0.0053	-0.2728	-0.0942	-0.0908	0.2071	0.1624	0.0933	0.334	0.0455	0.0061	0.3238	0.046	0.1634	0.12	-13.792	37.544
14	0.8054	-0.0473	-0.913	0.7791	-0.7985	5.8682	0.1078	0.1123	0.0577	0.0276	-0.0722	0.0745	-0.279	-0.088	-0.0207	0.2163	-0.0285	0.0041	0.2755	0.0126	0.2049	1.802	-18.822	54.825
15	3.4399	-0.2161	-0.368	1.9332	0.0323	4.2598	-0.152	-0.0908	-0.2501	-0.0512	0.0201	-0.0161	0.2442	-0.0908	0.1557	0.2448	-0.0497	0.017	0.2153	-0.0029	0.1426	1.793	-12.173	76.853
16	1.404	-0.3946	-0.3486	1.8859	-0.5955	4.0781	-0.0194	0.1316	0.0981	0.0435	-0.0758	-0.1334	-0.1171	0.0316	0.0615	0.2123	-0.0755	0.0428	0.2718	0.0103	0.2028	-0.064	-17.816	65.866
17	0.9056	-0.3103	1.5299	1.4558	-0.8799	3.8618	0.2235	0.0715	-0.102	-0.012	-0.0489	0.3241	0.2411	-0.8435	-0.1988	0.2756	-0.1061	0.0286	0.4728	-0.0252	0.2696	14.355	-11.341	62.251
18	1.0838	-0.2997	-0.2332	1.1925	-0.8282	3.8845	0.0524	0.0747	-0.0085	-0.0577	-0.0087	0.089	0.0147	-0.6494	-0.0447	0.2944	-0.0221	-0.0277	0.4349	-0.0013	0.2275	9.802	-18.664	44.182
19	2.4689	-1.3958	-0.0351	3.0246	3.502	5.4059	0.0802	0.1511	0.0249	0.163	-0.0114	-0.2547	0.2479	-0.054	-0.1401	0.2643	-0.0032	0.0149	0.2613	0.0134	0.297	48.16	23.206	61.842
20	0.8187	0.1939	0.0339	2.6869	0.6214	3.5668	-0.0776	0.0834	0.1666	-0.1539	0.1303	0.0491	-0.089	0.011	-0.1092	0.2282	-0.0353	0.0039	0.2267	0.0261	0.2761	40.207	21.261	53.227
21	0.3174	-0.006	-0.2262	6.7191	4.415	5.9293	0.1212	0.1702	0.1589	-0.0938	-0.0869	-0.0283	-0.1265	-0.4902	-0.0547	0.2336	-0.0244	-0.0033	0.333	-0.0093	0.3342	40.105	23.746	61.565
22	0.4055	-0.0843	-0.2627	-0.0021	0.421	1.8336	-0.0357	-0.0723	0.0273	0.0333	0.0264	-0.0057	0.0771	-0.0167	0.0172	0.2512	-0.0024	0.0162	0.2261	0.0234	0.2748	36.636	18.407	83.572
23	5.7375	1.0245	3.904	5.734	1.0971	2.6873	0.3091	-0.1756	-0.5605	0.5589	0.3647	-0.2862	0.5148	1.0535	-0.6563	0.3122	0.0134	0.0279	0.4893	-0.0037	0.36	42.247	13.5	100.67
24	1.4482	0.2645	0.0023	1.8895	-0.5197	5.9	0.046	-0.1882	0.0727	0.2609	0.0579	-0.0672	-0.2003	0.2258	-0.0861	0.2254	0.0292	0.0089	0.2928	-0.0238	0.2692	36.72	19.611	95.25
25	0.9006	-0.9044	1.9265	1.6911	-2.7966	5.4858	-0.2079	-0.4422	0.341	0.5169	0.3909	0.1156	-0.4287	-0.4257	-0.3646	0.1983	-0.0169	0.0467	0.2793	0.0117	0.3517	24.892	1.444	66.106
26	1.3406	0.3709	0.0132	2.7487	0.0859	2.5101	-0.1119	0.1886	0.1128	-0.1221	0.0867	0.3325	-0.0018	-0.1508	0.0115	0.2316	-0.0228	-0.0024	0.2553	0.0305	0.3044	27.634	5.113	54.682
27	8.0249	-0.9565	1.0808	3.0159	-0.6431	2.324	-0.5184	0.2591	-0.0176	-0.0511	0.3858	0.1392	0.0659	0.0046	0.1478	0.3067	-0.0633	0.0169	0.2447	-0.0138	0.277	27.389	-2.185	55.359
28	1.2044	0.5039	-0.8054	1.1846	-0.4073	1.7532	-0.1132	0.2217	0.0905	-0.1415	0.2051	0.1305	0.0063	0.0057	-0.105	0.2193	-0.036	0.005	0.2447	-0.0039	0.3273	29.412	4.791	56.614
29	0.6921	0.5104	-0.266	0.795	-1.5162	4.0984	-0.1064	0.0035	0.0205	-0.1739	0.0201	0.118	0.3228	0.1107	-0.0082	0.3227	-0.0311	0.0491	0.2364	-0.0273	0.262	29.473	6.846	65.113
30	2.9125	-0.794	-0.8176	6.8617	0.8059	4.4777	-0.16	-0.1213	0.3345	0.9441	0.0502	0.1087	0.1132	0.1055	0.1326	0.2784	-0.0145	0.0187	0.2923	-0.0204	0.2864	23.378	15.786	92.156
31	2.5904	-0.4983	-0.9403	1.8733	1.0422	2.0264	0.1177	0.144	0.2065	-0.0451	-0.1423	-0.0133	-0.1303	-0.172	-0.0021	0.2323	0.0098	0.0162	0.2556	-0.0022	0.2425	25.106	15.964	84.6
32	5.5253	-4.7367	-2.4268	8.262	2.9377	3.9026	0.0345	0.0527	-0.3094	-0.1186	-0.1766	0.4463	-0.0707	-0.1696	0.2495	0.2442	-0.0076	-0.0075	0.2848	-0.0214	0.3155	15.603	13.915	87.413
33	0.5493	0.1357	-0.3541	2.4192	-0.742	2.5216	0.0395	-0.0144	-0.0087	0.4085	0.1894	0.384	0.3237	-0.6667	-0.1839	0.6098	-0.1964	0.0835	0.5523	0.0374	0.4901	-3.653	-22.287	100.52
34	1.5052	0.3076	-0.1881	2.2353	0.143	3.8432	0.1467	-0.1235	-0.0842	0.156	0.1037	0.0786	0.8001	-0.3258	-0.2337	0.6571	-0.1769	0.0236	0.4306	0.0003	0.3594	4.667	-25.463	100.96
35	0.8117	-0.349	0.1111	0.6141	-1.0276	2.6267	0.0227	-0.1913	0.0374	-0.057	0.037	0.0671	0.3254	0.0179	-0.0359	0.5089	-0.2	0.0839	0.4678	-0.0276	0.3541	9.382	-21.344	127.427
36	1.3082	-0.0158	0.1307	1.3382	-0.6518	5.0988	0.1014	-0.1347	0.0588	-0.0696	0.0468	0.0492	0.0036	-0.1085	-0.11	0.4126	-0.1259	0.0355	0.5607	-0.0613	0.3566	7.011	-21.011	139.218
37	5.9776	1.6254	3.6834	3.2909	0.9171	8.8038	0.0519	-0.2488	0.0747	-0.0744	-0.0588	0.3308	0.8013	-0.7399	-0.0224	0.3583	-0.1497	0.0304	0.637	-0.015	0.3631	5.26	-28.826	142.043
38	0.1275	-0.0688	-0.7553	0.0918	0.6639	5.9283	0.2269	-0.2541	0.3765	-0.1639	0.3221	-0.4087	-0.3822	0.6058	-0.7031	0.468	-0.1806	0.0737	0.4694	-0.0918	0.5344	19.049	-5.175	110.588
39	5.5284	-2.6061	-0.3621	5.6928	0.9289	4.4044	0.2459	-0.2061	-0.2741	-0.0251	0.3106	-0.5393	0.1147	0.9917	-0.616	0.3686	-0.0762	0.0918	0.4872	-0.0398	0.395	24.036	-10.126	99.677
40	1.3834	0.5174	-0.5303	2.5638	0.0274	4.4948	0.0747	0.0237	-0.0172	0.0197	0.0735	-0.0982	-0.5206	0.0605	-0.1861	0.5238	-0.1032	0.097	0.3956	-0.0134	0.4074	12.119	-7.259	99.452
41	2.7092	-1.6758	-1.2722	1.5644	0.1833	3.5642	0.1743	0.2121	0.4474	0.1372	0.0894	-0.0452	-0.5124	0.2322	-0.2637	0.5889	-0.1364	0.1439	0.3433	-0.0509	0.4605	16.369	-0.988	100.066
42	2.4482	-0.0016	-0.5794	2.1698	0.0261	4.7821	-0.0818	0.0028	0.3113	-0.1591	0.3503	-0.101	-0.6477	0.3895	-0.2592	0.5322	-0.1251	0.0842	0.4498	-0.0608	0.402	14.025	-3.248	108.144
43	2.936	0.5062	1.1784	1.7975	-0.9591	8.765	0.1929	0.2672	0.0541	0.1592	0.0482	-0.2898	0.6919	0.1309	-0.2832	0.5208	-0.1084	0.0734	0.3969	-0.0314	0.3587	14.329	-16.928	93.043
44	1.4612	-1.3568	1.6761	2.2858	-0.7599	2.5918	-0.1061	-0.0488	-0.016	0.2557	0.0237	-0.0056	-0.2845	0.0813	0.1094	0.371	-0.1249	0.1123	0.4845	-0.0703	0.382	18.849	-12.205	129.812
45	3.0158	-1.5383	0.5091	2.9757	-0.7495	0.6888	0.0764	0.0683	-0.1972	-0.0337	-0.1202	0.1759	0.0466	-0.0085	0.006	0.4274	-0.0733	0.0438	0.4773	-0.0597	0.2901	19.79	-19.37	129.502
46	3.6052	-3.8625	1.852	6.1869	-1.413	1.0528	-0.145	-0.1832	0.274	-0.0946	0.1864	-0.4087	0.1785	-0.1125	-0.0142	0.4501	-0.1199	0.0681	0.5314	-0.0644	0.3177	28.78	-16.156	131.208

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	( CHAIN A AND RESID 18:35 )	A	18 - 35
2	X-RAY DIFFRACTION	2	( CHAIN A AND RESID 36:74 )	A	36 - 74
3	X-RAY DIFFRACTION	3	( CHAIN A AND RESID 75:96 )	A	75 - 96
4	X-RAY DIFFRACTION	4	( CHAIN A AND RESID 97:132 )	A	97 - 132
5	X-RAY DIFFRACTION	5	( CHAIN A AND RESID 133:166 )	A	133 - 166
6	X-RAY DIFFRACTION	6	( CHAIN A AND RESID 167:189 )	A	167 - 189
7	X-RAY DIFFRACTION	7	( CHAIN A AND RESID 190:206 )	A	190 - 206
8	X-RAY DIFFRACTION	8	( CHAIN A AND RESID 207:235 )	A	207 - 235
9	X-RAY DIFFRACTION	9	( CHAIN A AND RESID 236:254 )	A	236 - 254
10	X-RAY DIFFRACTION	10	( CHAIN A AND RESID 255:275 )	A	255 - 275
11	X-RAY DIFFRACTION	11	( CHAIN A AND RESID 276:302 )	A	276 - 302
12	X-RAY DIFFRACTION	12	( CHAIN A AND RESID 303:351 )	A	303 - 351
13	X-RAY DIFFRACTION	13	( CHAIN B AND RESID 18:52 )	B	18 - 52
14	X-RAY DIFFRACTION	14	( CHAIN B AND RESID 53:132 )	B	53 - 132
15	X-RAY DIFFRACTION	15	( CHAIN B AND RESID 133:166 )	B	133 - 166
16	X-RAY DIFFRACTION	16	( CHAIN B AND RESID 167:235 )	B	167 - 235
17	X-RAY DIFFRACTION	17	( CHAIN B AND RESID 236:268 )	B	236 - 268
18	X-RAY DIFFRACTION	18	( CHAIN B AND RESID 269:351 )	B	269 - 351
19	X-RAY DIFFRACTION	19	( CHAIN C AND RESID 5:26 )	C	5 - 26
20	X-RAY DIFFRACTION	20	( CHAIN C AND RESID 27:80 )	C	27 - 80
21	X-RAY DIFFRACTION	21	( CHAIN C AND RESID 81:96 )	C	81 - 96
22	X-RAY DIFFRACTION	22	( CHAIN C AND RESID 97:158 )	C	97 - 158
23	X-RAY DIFFRACTION	23	( CHAIN C AND RESID 159:169 )	C	159 - 169
24	X-RAY DIFFRACTION	24	( CHAIN C AND RESID 170:216 )	C	170 - 216
25	X-RAY DIFFRACTION	25	( CHAIN D AND RESID 1:17 )	D	1 - 17
26	X-RAY DIFFRACTION	26	( CHAIN D AND RESID 18:62 )	D	18 - 62
27	X-RAY DIFFRACTION	27	( CHAIN D AND RESID 63:78 )	D	63 - 78
28	X-RAY DIFFRACTION	28	( CHAIN D AND RESID 79:110 )	D	79 - 110
29	X-RAY DIFFRACTION	29	( CHAIN D AND RESID 111:134 )	D	111 - 134
30	X-RAY DIFFRACTION	30	( CHAIN D AND RESID 135:160 )	D	135 - 160
31	X-RAY DIFFRACTION	31	( CHAIN D AND RESID 161:203 )	D	161 - 203
32	X-RAY DIFFRACTION	32	( CHAIN D AND RESID 204:228 )	D	204 - 228
33	X-RAY DIFFRACTION	33	( CHAIN E AND RESID 5:37 )	E	5 - 37
34	X-RAY DIFFRACTION	34	( CHAIN E AND RESID 38:101 )	E	38 - 101
35	X-RAY DIFFRACTION	35	( CHAIN E AND RESID 102:137 )	E	102 - 137
36	X-RAY DIFFRACTION	36	( CHAIN E AND RESID 138:204 )	E	138 - 204
37	X-RAY DIFFRACTION	37	( CHAIN E AND RESID 205:216 )	E	205 - 216
38	X-RAY DIFFRACTION	38	( CHAIN F AND RESID 1:17 )	F	1 - 17
39	X-RAY DIFFRACTION	39	( CHAIN F AND RESID 18:33 )	F	18 - 33
40	X-RAY DIFFRACTION	40	( CHAIN F AND RESID 34:62 )	F	34 - 62
41	X-RAY DIFFRACTION	41	( CHAIN F AND RESID 63:78 )	F	63 - 78
42	X-RAY DIFFRACTION	42	( CHAIN F AND RESID 79:99 )	F	79 - 99
43	X-RAY DIFFRACTION	43	( CHAIN F AND RESID 100:119 )	F	100 - 119
44	X-RAY DIFFRACTION	44	( CHAIN F AND RESID 120:160 )	F	120 - 160
45	X-RAY DIFFRACTION	45	( CHAIN F AND RESID 161:205 )	F	161 - 205
46	X-RAY DIFFRACTION	46	( CHAIN F AND RESID 206:228 )	F	206 - 228

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