PDB-6elu: Structure of Serum Resistance Associated protein from T. b. rhode...

ID or keywords:

Entry

Database: PDB / ID: 6elu

Title

Structure of Serum Resistance Associated protein from T. b. rhodesiense

Components

G10_3 Light chain
G10_3 heavy chain
Serum resistance associated; VSG protein

Keywords

ANTITOXIN / Tryanosome / innate immune evasion / sleeping sickness / apolipoprotein LI / SRA / trypanolytic factor.

Function / homology

Function and homology information

evasion of host immune response / plasma membrane
Similarity search - Function

Biological species

Trypanosoma brucei rhodesiense (eukaryote)

Mus musculus (house mouse)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.3 Å

Authors

Zoll, S. / Higgins, M.K.

Funding support

United Kingdom, 1items

Citation

Journal: Nat Microbiol / Year: 2018
Title: The structure of serum resistance-associated protein and its implications for human African trypanosomiasis.
Authors: Zoll, S. / Lane-Serff, H. / Mehmood, S. / Schneider, J. / Robinson, C.V. / Carrington, M. / Higgins, M.K.

History

Deposition	Sep 29, 2017	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Jan 24, 2018	Provider: repository / Type: Initial release
Revision 1.1	Jan 31, 2018	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.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2	Feb 28, 2018	Group: Database references / Category: citation Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.3	Oct 16, 2019	Group: Data collection / Category: reflns_shell
Revision 1.4	Oct 23, 2024	Group: Data collection / Database references / Structure summary Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	6elu.cif.gz	936.1 KB	Display	PDBx/mmCIF format
PDB format	pdb6elu.ent.gz	780.8 KB	Display	PDB format
PDBx/mmJSON format	6elu.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	6elu_validation.pdf.gz	517 KB	Display	wwPDB validaton report
Full document	6elu_full_validation.pdf.gz	556.2 KB	Display
Data in XML	6elu_validation.xml.gz	88.4 KB	Display
Data in CIF	6elu_validation.cif.gz	124.6 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/el/6elu ftp://data.pdbj.org/pub/pdb/validation_reports/el/6elu	HTTPS FTP

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Related structure data

Similar structure data	6xzw-d 3phf-14 3phf-7 30950 3phf-9 3phf-12 3phf-4 3phf-8 2ltq-1 3phf-15 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) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

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

A: Serum resistance associated; VSG protein

B: G10_3 heavy chain

C: G10_3 Light chain

D: Serum resistance associated; VSG protein

E: G10_3 heavy chain

F: G10_3 Light chain

G: Serum resistance associated; VSG protein

H: G10_3 heavy chain

I: G10_3 Light chain

J: Serum resistance associated; VSG protein

K: G10_3 heavy chain

L: G10_3 Light chain

292 kDa, 12 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Serum resistance associated; VSG protein

B: G10_3 heavy chain

C: G10_3 Light chain

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

2

D: Serum resistance associated; VSG protein

E: G10_3 heavy chain

F: G10_3 Light chain

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

3

G: Serum resistance associated; VSG protein

H: G10_3 heavy chain

I: G10_3 Light chain

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

4

J: Serum resistance associated; VSG protein

K: G10_3 heavy chain

L: G10_3 Light chain

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

Unit cell

Length a, b, c (Å)	127.600, 103.550, 150.640
Angle α, β, γ (deg.)	90.00, 114.58, 90.00
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	Serum resistance associated; VSG protein Mass: 24399.113 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Trypanosoma brucei rhodesiense (eukaryote) Gene: SRA / Production host: Escherichia coli (E. coli) / Strain (production host): T7 shuffle / References: UniProt: Q8T309
#2: Antibody	G10_3 heavy chain Mass: 24693.635 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Production host: Mus musculus (house mouse)
#3: Antibody	G10_3 Light chain Mass: 23944.270 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Production host: Mus musculus (house mouse)
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 580 / 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: 3.1 Å³/Da / Density % sol: 60.29 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion, sitting drop Details: 20 mM sodium formate, 20 mM ammonium acetate, 20 mM sodium citrate tribasic dehydrate, 20 mM sodium potassium tartrate tetrahydrate, 20 mM sodium oxamate, 100 mM tris(base)/Bicine pH 8.5, ...Details: 20 mM sodium formate, 20 mM ammonium acetate, 20 mM sodium citrate tribasic dehydrate, 20 mM sodium potassium tartrate tetrahydrate, 20 mM sodium oxamate, 100 mM tris(base)/Bicine pH 8.5, 20% (v/v) PEG 500 MME, 10 % (w/v) PEG 20,000

Crystal

Density Matthews: 3.1 Å³/Da / Density % sol: 60.29 %

Crystal grow

Temperature: 291 K / Method: vapor diffusion, sitting drop
Details: 20 mM sodium formate, 20 mM ammonium acetate, 20 mM sodium citrate tribasic dehydrate, 20 mM sodium potassium tartrate tetrahydrate, 20 mM sodium oxamate, 100 mM tris(base)/Bicine pH 8.5, ...

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.97625 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Mar 7, 2016
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97625 Å / Relative weight: 1
Reflection	Resolution: 2.3→48.431 Å / Num. obs: 310049 / % possible obs: 99.4 % / Redundancy: 3.4 % / Net I/σ(I): 9.5

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Processing

Software

Name	Version	Classification
PHENIX	(1.11.1_2575: ???)	refinement
XDS		data reduction
XDS		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.3→48.431 Å / SU ML: 0.33 / Cross valid method: FREE R-VALUE / σ(F): 1.4 / Phase error: 23.66

	R_factor	Num. reflection	% reflection
R_free	0.2204	7914	5 %
R_work	0.1905	-	-
obs	0.192	158272	99.94 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 2.3→48.431 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	18573	0	0	580	19153

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.007	18966
X-RAY DIFFRACTION	f_angle_d	1.002	25843
X-RAY DIFFRACTION	f_dihedral_angle_d	7.608	11433
X-RAY DIFFRACTION	f_chiral_restr	0.056	3005
X-RAY DIFFRACTION	f_plane_restr	0.006	3307

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 (%)
2.3-2.3261	0.3696	261	0.3444	4974	X-RAY DIFFRACTION	100
2.3261-2.3535	0.3404	265	0.3257	5030	X-RAY DIFFRACTION	100
2.3535-2.3822	0.3211	261	0.3158	4961	X-RAY DIFFRACTION	100
2.3822-2.4124	0.3492	264	0.3023	5018	X-RAY DIFFRACTION	100
2.4124-2.4441	0.3308	261	0.2963	4946	X-RAY DIFFRACTION	100
2.4441-2.4776	0.3245	262	0.2835	4982	X-RAY DIFFRACTION	100
2.4776-2.513	0.2841	264	0.2755	5023	X-RAY DIFFRACTION	100
2.513-2.5505	0.3092	263	0.2711	4989	X-RAY DIFFRACTION	100
2.5505-2.5903	0.2949	263	0.2621	4995	X-RAY DIFFRACTION	100
2.5903-2.6328	0.3085	261	0.2573	4968	X-RAY DIFFRACTION	100
2.6328-2.6782	0.2913	262	0.254	4983	X-RAY DIFFRACTION	100
2.6782-2.7269	0.2872	268	0.2421	5073	X-RAY DIFFRACTION	100
2.7269-2.7793	0.2548	260	0.2247	4949	X-RAY DIFFRACTION	100
2.7793-2.836	0.2605	263	0.2175	5002	X-RAY DIFFRACTION	100
2.836-2.8977	0.2561	264	0.219	5020	X-RAY DIFFRACTION	100
2.8977-2.9651	0.272	263	0.2201	4995	X-RAY DIFFRACTION	100
2.9651-3.0392	0.2783	264	0.2219	5014	X-RAY DIFFRACTION	100
3.0392-3.1214	0.2746	263	0.2294	4993	X-RAY DIFFRACTION	100
3.1214-3.2132	0.2646	263	0.2173	4997	X-RAY DIFFRACTION	100
3.2132-3.3169	0.2598	262	0.2063	4983	X-RAY DIFFRACTION	100
3.3169-3.4354	0.2367	265	0.2003	5038	X-RAY DIFFRACTION	100
3.4354-3.573	0.2266	266	0.1884	5048	X-RAY DIFFRACTION	100
3.573-3.7355	0.2089	263	0.177	4995	X-RAY DIFFRACTION	100
3.7355-3.9324	0.2035	263	0.1598	5003	X-RAY DIFFRACTION	100
3.9324-4.1786	0.1614	265	0.155	5038	X-RAY DIFFRACTION	100
4.1786-4.501	0.1618	266	0.1362	5043	X-RAY DIFFRACTION	100
4.501-4.9536	0.1763	265	0.1293	5043	X-RAY DIFFRACTION	100
4.9536-5.6694	0.1703	265	0.1431	5029	X-RAY DIFFRACTION	100
5.6694-7.1392	0.1686	267	0.1673	5076	X-RAY DIFFRACTION	100
7.1392-48.4418	0.1741	272	0.1664	5150	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	0.0283	0.0033	0.0356	0.0076	0.036	-0.0121	0.1874	0.0117	0.0848	0.1164	0.1064	0.0161	-0.1224	0.0491	0	0.4485	-0.1083	-0.0403	0.9371	-0.3213	1.0115	133.7413	33.3475	122.6668
2	-0.004	0.0044	0.012	0.0022	-0.0009	-0.0067	0.108	0.0234	0.0504	0.0065	0.0404	0.0035	-0.0328	-0.0275	0	0.8806	-0.0591	0.0011	0.9326	-0.1799	0.9479	125.4868	40.274	116.2138
3	0.0115	0.0111	0.0067	0.0072	0.0048	0.0015	0.0805	-0.0098	0.0338	0.0155	0.0364	-0.0292	-0.0192	0.0563	0	0.5417	-0.0654	-0.0706	0.8073	-0.1657	0.7739	134.3103	11.8073	105.5124
4	0.0113	0.0383	0.0407	0.0355	-0.0324	0.0248	-0.0849	-0.1451	0.0653	0.1163	0.1683	-0.1434	0.367	0.1239	0	0.4337	0.054	-0.0566	0.2415	-0.0345	0.3635	115.0412	-7.691	101.8223
5	-0.0444	0.0259	-0.0227	0.0521	-0.0008	-0.0023	0.2595	0.2132	-0.1045	0.1227	-0.0047	-0.0971	0.0725	0.0462	-0	0.5672	-0.1474	0.0263	-1.2782	-0.0657	0.275	97.8784	-20.6597	76.5779
6	-0.0095	-0.0077	0.0039	0.0264	-0.0032	0.0036	0.0395	-0.1133	0.0817	-0.0972	-0.0677	-0.0184	-0.0271	0.0325	-0	0.5645	-0.0319	0.0626	0.2863	-0.0641	0.4746	110.2991	15.3949	92.2454
7	0.0094	-0.0048	0.0131	0.0068	-0.0152	0.0111	0.1244	-0.0342	0.0616	-0.1922	0.0455	-0.0151	-0.0644	0.1351	-0	0.4701	-0.1497	0.1012	0.1364	-0.1367	0.3849	114.9261	8.8769	86.5998
8	0.0188	-0.0693	0.0065	0.0358	0.0091	0.0214	0.014	-0.2454	0.0006	0.0218	0.1054	-0.0287	0.0102	-0.0071	0	0.425	-0.2225	0.0604	-0.4273	-0.0219	0.2799	98.7826	-4.4795	82.6496
9	-0.0007	-0.0257	-0.0047	0.031	-0.0211	-0.0118	0.0353	0.0297	0.0559	0.1335	-0.0076	0.0332	-0.0498	-0.4585	-0	0.3627	-0.2519	0.2145	-1.0271	0.4174	0.1549	85.3223	-10.032	73.4512
10	0.0122	-0.0026	0.0133	-0.0034	0.0074	0.0002	0.0992	-0.0248	0.1399	0.0032	-0.002	0.0578	0.052	0.0374	-0	0.9013	-0.1365	-0.3875	1.0321	-0.0926	0.907	175.9425	6.6193	60.9951
11	0.0037	-0	0.0106	-0	0.0039	0.0055	0.0466	-0.0227	0.0723	0.0031	-0.0291	0.0687	0.1131	0.0364	0	0.887	-0.1772	-0.2648	1.0579	-0.1816	0.9258	170.8738	11.4348	72.0715
12	0.0004	0.0004	0	-0.0019	-0.0002	-0.0002	-0.0056	-0.0027	0.0003	-0.0078	-0.001	0.0211	0.0135	-0.0124	0	1.4387	0.0538	0.0019	1.4059	-0.0118	1.3888	174.3926	-10.9002	63.7689
13	0.0053	0.0016	0.0037	-0.0021	0.0039	0.0004	-0.0264	0.0048	-0.0224	-0.0147	-0.0377	0.0036	0.0403	0.0002	-0	0.7715	-0.1755	-0.2408	0.9005	-0.1078	0.883	161.1148	9.9991	68.2979
14	0.0002	0.0002	0.0002	0.0001	0.0002	0.0031	-0.0029	-0.0039	0.0036	-0.0021	-0.0013	0.0041	-0.0011	-0.003	-0	1.2061	0.0225	0.0175	1.2404	-0.0561	1.1964	143.5473	21.049	79.9459
15	0.0013	0.0006	0.004	-0.001	-0.0001	0.0005	0.0241	0.0137	-0.0005	0.0281	0.0146	-0.0566	0.0097	0.0186	-0	0.706	-0.1475	-0.1807	0.8108	-0.0844	0.8309	153.4224	17.6091	64.205
16	0.0335	0.0265	-0.0022	0.0394	-0.0615	0.0362	0.1333	0.0411	0.2384	-0.0576	-0.0849	-0.2403	-0.0351	-0.0152	-0	0.3573	-0.033	0.0201	0.2816	-0.0506	0.3695	133.2674	17.672	49.518
17	-0.0023	0.0072	0.0004	0.001	0.0055	0.0025	-0.0065	-0.0085	-0.0431	-0.0045	-0.0143	0.0662	-0.0133	-0.0265	-0	0.3714	0.0009	-0.0054	0.1529	0.0493	0.3811	92.2966	2.9925	47.1065
18	0.0278	-0.007	0.0201	0.0303	-0.0104	0.0096	-0.0169	0.0989	0.0165	0.0176	0.0367	0.1105	-0.0979	0.0541	0	0.3671	0.0771	0.0345	0.1619	0.0407	0.2294	103.0498	9.8234	47.4272
19	0.0035	-0.0028	0.0083	0.0025	-0.0032	0.0053	-0.0707	-0.0032	-0.0368	0.1062	-0.0823	-0.0331	0.1023	0.0306	-0	0.4011	0.0605	-0.0605	0.459	0.0077	0.4621	138.1132	-5.2185	59.7912
20	0.0018	0.0052	0	0.0098	-0.0032	0.0064	0.0213	-0.054	0.0139	0.0822	-0.0403	0.0058	-0.0287	0.097	-0	0.3176	0.0081	-0.09	0.3841	0.0036	0.2915	133.2264	1.4593	64.6994
21	0.0013	-0.0087	0.0011	0.0296	0.004	0.0046	0.0267	0.0137	0.0064	0.1455	0.0592	-0.0366	0.1678	0.1455	-0	0.2581	0.0398	-0.049	0.2386	-0.0357	0.2449	127.6227	-2.4969	59.2305
22	0.0046	-0.0257	-0.0036	0.0471	0.0223	0.0344	-0.1145	0.2957	0.016	0.0829	-0.0453	0.0257	-0.0343	-0.1265	-0	0.3238	0.1868	0.006	0.155	-0.0876	0.2115	100.6817	-5.8749	42.8945
23	0.008	-0.0017	0.0129	-0.0003	-0.0018	0.0116	0.1759	-0.0128	0.0405	0.1336	-0.0642	0.0214	0.0197	0.0431	0	0.7305	0.1256	-0.1801	1.1	0.0786	0.8163	135.8328	-41.1783	63.7673
24	0.0005	0.0013	0.0004	-0.0006	0.001	-0.0003	-0.0058	-0.0075	-0.0078	0.017	-0.0033	-0.0058	0.0016	0.0027	-0	1.3439	-0.0498	0.0836	1.4163	0.0085	1.4277	125.5524	-27.9743	76.2601
25	0.0084	0.0005	0.0101	-0.0055	-0.0001	0.0041	0.018	-0.0267	0.0215	-0.014	-0.0041	-0.1012	0.0072	-0.007	0	0.5605	0.0963	-0.1196	0.7627	0.0152	0.5655	135.4012	-37.13	47.0464
26	-0.0008	0.0021	0.0055	0.0025	0.0036	0.0058	-0.0321	0.0222	-0.011	-0.0297	-0.0116	-0.0421	0.0178	0.0123	-0	0.5593	0.1736	-0.1404	0.5984	-0.0107	0.5343	131.0466	-44.1784	41.578
27	0.0215	0.0083	0.0191	0.0626	-0.0126	0.0259	-0.2139	0.0929	0.0294	-0.024	0.1973	-0.0362	0.3096	0.107	0	0.3185	0.1824	0.0383	0.3211	-0.0789	0.2775	112.496	-46.8319	25.2559
28	-0.0017	-0.0032	-0.002	0.0003	-0.0002	0.0028	-0.0443	0.0175	0.0282	0.0101	-0.0342	0.0108	0.016	-0.0098	-0	0.2909	-0.005	-0.0175	0.4626	0.026	0.2526	89.6595	-25.2674	-4.8324
29	0.0216	0.0018	0.0302	0.0118	0.0089	0.0122	0.0676	0.3056	0.0196	0.1111	-0.0662	0.0442	0.1323	0.0453	-0	0.228	-0.0155	0.0047	0.3958	-0.0219	0.1793	96.6402	-33.57	1.7324
30	0.0008	-0.0094	-0.0168	0.0003	0.0029	0.0046	-0.0082	-0.0486	0.0756	-0.0515	0.039	-0.0044	-0.0011	0.0198	-0	0.3221	0.0345	0.0168	0.2733	-0.0462	0.2956	107.2951	-21.6863	34.5346
31	0.0059	-0.0127	0.0044	0.0205	0.02	0.0024	0.0262	0.0277	0.1467	-0.0023	-0.0354	-0.1703	-0.0669	0.0677	0	0.2786	0.0628	-0.0984	0.2794	-0.1023	0.3011	117.3703	-27.0812	33.5855
32	0.0166	-0.0059	-0.001	0.0132	0.0242	0.0145	-0.0198	0.0565	0.0791	0.0438	0.0156	-0.0484	0.0366	0.039	0	0.3136	0.0617	-0.0226	0.2831	-0.0295	0.2883	111.9183	-28.4106	31.2504
33	0.0081	-0.0323	0.0131	0.0038	0.0132	-0.0054	0.0489	0.2049	-0.0153	0.1333	0.0586	0.0137	-0.1605	-0.1312	-0	0.1166	0.013	-0.0025	0.3253	-0.0244	0.2401	92.2585	-23.6046	8.1179
34	0.0053	-0.003	-0.0053	0.0124	-0.0059	0.0064	-0.0869	0.0428	0.0022	0.1158	-0.0364	0.0384	-0.01	-0.0153	-0	0.2341	-0.0156	0.0233	0.3921	-0.01	0.3033	84.8551	-20.9839	9.7568
35	0.0003	-0.0013	0.0004	0.0027	-0.002	0.0025	-0.0381	-0.0009	-0.0009	0.0388	-0.0166	-0.0556	0.0159	-0.0491	0	0.247	-0.0123	0.009	0.3359	-0.0019	0.252	94.756	-23.0717	14.2181
36	0.0055	-0.0094	0.0062	0.003	0.0041	0.0018	0.0116	0.0558	-0.0446	0.0015	0.0143	0.1074	-0.0636	-0.1023	-0	0.1818	0.0254	-0.0252	0.4137	-0.0047	0.3252	79.9067	-22.2187	3.7265
37	0.074	0.0005	0.0524	0.1285	0.0486	-0.0024	-0.2268	0.2674	-0.0469	-1.182	0.0402	-0.502	0.0066	0.0634	-0	-0.8013	0.6252	-0.3798	0.6123	0.3122	0.2687	173.9531	-17.3975	13.0316
38	0.001	0.0018	0.0008	0.0005	0.0116	-0.0038	0.0065	-0.0099	-0.0054	-0.0785	-0.0386	0.0034	0.0727	0.018	-0	0.7883	0.0186	0.1368	0.9063	-0.0174	0.8033	172.4758	-23.7205	-2.0985
39	0.0058	-0.0069	0.0043	0.0008	-0.0049	0.0048	-0.0768	0.0667	-0.0911	0.1791	-0.1504	-0.0441	-0.0498	0.0716	0	0.2654	0.1301	-0.0802	0.5749	-0.0408	0.499	155.7661	-11.1341	22.9548
40	0.0348	0.0085	0.0038	0.0691	0.0144	0.0024	0.0347	0.1351	-0.0241	0.1025	0.0563	0.2205	-0.0707	0.2347	0	0.2497	-0.0014	0.037	0.5132	0.0727	0.2505	136.9011	6.9786	13.7841
41	0.0034	-0.0049	0.0031	0.0031	-0.0038	-0.0028	-0.0124	0.0395	0.0391	-0.0204	-0.0412	-0.0281	0.0107	-0.0037	0	0.3782	-0.055	0.0472	0.5794	0.2081	0.7298	95.2967	5.7991	1.2991
42	0.014	-0.0108	0.0112	0.0162	0.0106	0.0073	0.0579	0.0169	0.081	0.0774	0.0287	0.0735	-0.0609	0.0356	0	0.2578	0.0405	0.0713	0.3637	0.1567	0.4804	106.5425	8.1472	6.6985
43	0.0034	-0.0032	-0.0027	0.0012	0.0019	0.0032	0.0478	0.0039	-0.0333	-0.0543	0.0554	0.0416	-0.0232	0.0464	0	0.2959	-0.0295	0.054	0.5443	-0.0412	0.4099	131.5475	-15.1316	-1.5838
44	0.0077	0.0063	0.0008	0.0037	0.006	0.0069	-0.0003	0.1096	-0.0122	-0.0275	0.1183	0.0319	-0.0528	0.0697	-0	0.1799	0.0547	0.0203	0.4646	-0.094	0.2891	138.2433	-11.8906	7.0593
45	0.0371	0.09	0.0011	0.0631	-0.0012	0.0635	-0.1209	0.2379	-0.0179	-0.0936	0.2126	-0.0217	0.002	0.1122	0	0.2164	0.0039	0.0011	0.4228	-0.0255	0.3416	125.6606	-9.7922	4.3585
46	-0.0226	-0.018	-0.0103	0.0193	0.0339	-0.0002	-0.1089	0.192	0.181	-0.1337	0.1539	0.0057	0.1839	0.0373	0	-0.2016	0.127	-0.4858	0.5253	0.4655	0.0109	103.5515	1.2112	-9.3137

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 45 through 159 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 160 through 183 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 184 through 254 )
4	X-RAY DIFFRACTION	4	chain 'B' and (resid 1 through 127 )
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 128 through 222 )
6	X-RAY DIFFRACTION	6	chain 'C' and (resid 1 through 36 )
7	X-RAY DIFFRACTION	7	chain 'C' and (resid 37 through 94 )
8	X-RAY DIFFRACTION	8	chain 'C' and (resid 95 through 132 )
9	X-RAY DIFFRACTION	9	chain 'C' and (resid 133 through 217 )
10	X-RAY DIFFRACTION	10	chain 'D' and (resid 46 through 80 )
11	X-RAY DIFFRACTION	11	chain 'D' and (resid 81 through 115 )
12	X-RAY DIFFRACTION	12	chain 'D' and (resid 116 through 175 )
13	X-RAY DIFFRACTION	13	chain 'D' and (resid 176 through 205 )
14	X-RAY DIFFRACTION	14	chain 'D' and (resid 206 through 213 )
15	X-RAY DIFFRACTION	15	chain 'D' and (resid 214 through 252 )
16	X-RAY DIFFRACTION	16	chain 'E' and (resid 1 through 127 )
17	X-RAY DIFFRACTION	17	chain 'E' and (resid 128 through 142 )
18	X-RAY DIFFRACTION	18	chain 'E' and (resid 143 through 222 )
19	X-RAY DIFFRACTION	19	chain 'F' and (resid 1 through 36 )
20	X-RAY DIFFRACTION	20	chain 'F' and (resid 37 through 79 )
21	X-RAY DIFFRACTION	21	chain 'F' and (resid 80 through 117 )
22	X-RAY DIFFRACTION	22	chain 'F' and (resid 118 through 217 )
23	X-RAY DIFFRACTION	23	chain 'G' and (resid 46 through 120 )
24	X-RAY DIFFRACTION	24	chain 'G' and (resid 121 through 174 )
25	X-RAY DIFFRACTION	25	chain 'G' and (resid 175 through 213 )
26	X-RAY DIFFRACTION	26	chain 'G' and (resid 214 through 252 )
27	X-RAY DIFFRACTION	27	chain 'H' and (resid 1 through 127 )
28	X-RAY DIFFRACTION	28	chain 'H' and (resid 128 through 142 )
29	X-RAY DIFFRACTION	29	chain 'H' and (resid 143 through 222 )
30	X-RAY DIFFRACTION	30	chain 'I' and (resid 1 through 25 )
31	X-RAY DIFFRACTION	31	chain 'I' and (resid 26 through 79 )
32	X-RAY DIFFRACTION	32	chain 'I' and (resid 80 through 105 )
33	X-RAY DIFFRACTION	33	chain 'I' and (resid 106 through 132 )
34	X-RAY DIFFRACTION	34	chain 'I' and (resid 133 through 159 )
35	X-RAY DIFFRACTION	35	chain 'I' and (resid 160 through 178 )
36	X-RAY DIFFRACTION	36	chain 'I' and (resid 179 through 217 )
37	X-RAY DIFFRACTION	37	chain 'J' and (resid 45 through 119 )
38	X-RAY DIFFRACTION	38	chain 'J' and (resid 120 through 183 )
39	X-RAY DIFFRACTION	39	chain 'J' and (resid 184 through 252 )
40	X-RAY DIFFRACTION	40	chain 'K' and (resid 1 through 127 )
41	X-RAY DIFFRACTION	41	chain 'K' and (resid 128 through 142 )
42	X-RAY DIFFRACTION	42	chain 'K' and (resid 143 through 222 )
43	X-RAY DIFFRACTION	43	chain 'L' and (resid 1 through 18 )
44	X-RAY DIFFRACTION	44	chain 'L' and (resid 19 through 52 )
45	X-RAY DIFFRACTION	45	chain 'L' and (resid 53 through 132 )
46	X-RAY DIFFRACTION	46	chain 'L' and (resid 133 through 217 )

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