PDB-5jzm: Structure of wild type Amidase from Vibrio cholerae 0395 at low t...

ID or keywords:

Entry

Database: PDB / ID: 5jzm

Title

Structure of wild type Amidase from Vibrio cholerae 0395 at low temparature at 1.8 Angstroms resolution.

Components

Intracellular protease/amidase

Keywords

LYASE / Heat shock protein

Function / homology

Function and homology information

D-lactate dehydratase / glyoxalase III activity / methylglyoxal catabolic process to D-lactate via S-lactoyl-glutathione / protein deglycase activity / DNA repair / cytoplasm
Similarity search - Function

Biological species

Vibrio cholerae serotype O1 (bacteria)

Method

X-RAY DIFFRACTION /

MOLECULAR REPLACEMENT / Resolution: 1.87 Å

Authors

Chowdhury, S.R. / Sen, U.

Citation

Journal: To Be Published
Title: Structure of wild type Amidase from Vibrio cholerae 0395 at high temparature at 1.8 Angstroms resolution.
Authors: Chowdhury, S.R. / Sen, U.

History

Deposition	May 17, 2016	Deposition site: RCSB / Processing site: PDBJ
Revision 1.0	Jun 15, 2016	Provider: repository / Type: Initial release
Revision 1.1	Nov 8, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_prerelease_seq / pdbx_struct_oper_list Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_oper_list.symmetry_operation

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5jzm.cif.gz	664.5 KB	Display	PDBx/mmCIF format
PDB format	pdb5jzm.ent.gz	550.7 KB	Display	PDB format
PDBx/mmJSON format	5jzm.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	5jzm_validation.pdf.gz	461.1 KB	Display	wwPDB validaton report
Full document	5jzm_full_validation.pdf.gz	474.4 KB	Display
Data in XML	5jzm_validation.xml.gz	75.6 KB	Display
Data in CIF	5jzm_validation.cif.gz	112.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/jz/5jzm ftp://data.pdbj.org/pub/pdb/validation_reports/jz/5jzm	HTTPS FTP

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Related structure data

Related structure data	1n57S 5jzo S: Starting model for refinement
Similar structure data	5jzo-1 4i4n-4 4i46-5 5k4a-3 5jzo-6 4i4n-5 5k4a-4 5jzo-3 5k4a-1 1mri-d 5k4a-5 5k4a-2 5jzo-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) 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

1n57S

5jzo

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	#215 - Nov 2017 Aspartate Transcarbamoylase similarity (1) #57 - Sep 2004 Catalase similarity (1)

Deposited unit

A: Intracellular protease/amidase

B: Intracellular protease/amidase

C: Intracellular protease/amidase

D: Intracellular protease/amidase

E: Intracellular protease/amidase

F: Intracellular protease/amidase

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

1

A: Intracellular protease/amidase

defined by author
31.5 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: Intracellular protease/amidase

defined by author
31.5 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

C: Intracellular protease/amidase

defined by author
31.5 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

D: Intracellular protease/amidase

defined by author
31.5 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

5

E: Intracellular protease/amidase

defined by author
31.5 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

6

F: Intracellular protease/amidase

defined by author
31.5 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	73.920, 79.720, 133.580
Angle α, β, γ (deg.)	90.00, 95.04, 90.00
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	Intracellular protease/amidase Mass: 31511.557 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Vibrio cholerae serotype O1 (strain ATCC 39541 / Classical Ogawa 395 / O395) (bacteria) Strain: ATCC 39541 / Classical Ogawa 395 / O395 / Gene: VC0395_0351, VC395_A0912 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: A0A0H3AFW5, D-lactate dehydratase
#2: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1691 / Source method: isolated from a natural source / Formula: H₂O

#1: Protein

Intracellular protease/amidase

Mass: 31511.557 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Vibrio cholerae serotype O1 (strain ATCC 39541 / Classical Ogawa 395 / O395) (bacteria)
Strain: ATCC 39541 / Classical Ogawa 395 / O395 / Gene: VC0395_0351, VC395_A0912 / Production host:

Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: A0A0H3AFW5, D-lactate dehydratase

#2: Water

ChemComp-HOH / water

Mass: 18.015 Da / Num. of mol.: 1691 / 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: 2.08 Å³/Da / Density % sol: 40.96 %
Crystal grow	Temperature: 293.15 K / Method: vapor diffusion, hanging drop / pH: 5 / Details: 5% PEG 6000, 0.1M Na-citrate, 8% MPD

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: ROTATING ANODE / Type: BRUKER AXS MICROSTAR / Wavelength: 1.5418 Å
Detector	Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Nov 30, 2013
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.5418 Å / Relative weight: 1
Reflection	Resolution: 1.87→36.313 Å / Num. obs: 118593 / % possible obs: 93.04 % / Redundancy: 1.79 % / R_merge(I) obs: 0.086 / Net I/σ(I): 1.34
Reflection shell	Resolution: 1.87→1.96 Å

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Processing

Software

Name	Version	Classification
PHENIX	1.8_1069	refinement
iMOSFLM		data reduction
Aimless		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 1N57

1n57

Resolution: 1.87→36.313 Å / SU ML: 0.21 / Cross valid method: NONE / σ(F): 1.34 / Phase error: 20.23

	R_factor	Num. reflection	% reflection
R_free	0.196	2000	1.69 %
R_work	0.1583	-	-
obs	0.1589	118593	93.04 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 1.87→36.313 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	12984	0	0	1691	14675

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.012	13356
X-RAY DIFFRACTION	f_angle_d	1.352	18150
X-RAY DIFFRACTION	f_dihedral_angle_d	14.292	4782
X-RAY DIFFRACTION	f_chiral_restr	0.083	1902
X-RAY DIFFRACTION	f_plane_restr	0.008	2400

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 (%)
1.8714-1.9182	0.2896	128	0.2363	7506	X-RAY DIFFRACTION	85
1.9182-1.9701	0.2765	142	0.2155	8248	X-RAY DIFFRACTION	92
1.9701-2.0281	0.2469	140	0.1962	8155	X-RAY DIFFRACTION	92
2.0281-2.0935	0.2482	141	0.1821	8251	X-RAY DIFFRACTION	92
2.0935-2.1683	0.2344	141	0.1703	8180	X-RAY DIFFRACTION	92
2.1683-2.2551	0.2174	140	0.1634	8176	X-RAY DIFFRACTION	92
2.2551-2.3577	0.2289	142	0.1638	8277	X-RAY DIFFRACTION	93
2.3577-2.482	0.1987	143	0.1635	8367	X-RAY DIFFRACTION	94
2.482-2.6375	0.2077	146	0.1646	8512	X-RAY DIFFRACTION	95
2.6375-2.8411	0.1989	149	0.1652	8662	X-RAY DIFFRACTION	97
2.8411-3.1268	0.2095	148	0.1603	8618	X-RAY DIFFRACTION	97
3.1268-3.5789	0.1992	148	0.1383	8653	X-RAY DIFFRACTION	96
3.5789-4.5077	0.1179	147	0.1224	8590	X-RAY DIFFRACTION	95
4.5077-36.3201	0.1727	145	0.1542	8398	X-RAY DIFFRACTION	92

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	3.7393	0.0857	-1.5414	2.1544	0.1351	2.2648	-0.0773	0.2056	-0.074	-0.0092	-0.0078	0.1676	0.1845	-0.2515	0.0555	0.1412	-0.0256	0.0064	0.1405	-0.0236	0.15	-17.9946	-11.2801	5.0933
2	0.65	-0.1691	-0.2669	0.3698	0.2542	0.836	-0.0137	-0.0413	0.0533	-0.0079	0.017	-0.0088	-0.0599	0.0055	-0.0069	0.1311	-0.0059	0.0032	0.109	0.0032	0.1351	-14.2614	5.1621	20.8041
3	2.2006	-0.3946	-0.1039	2.0631	0.1129	1.0403	-0.0045	0.1162	0.186	-0.1133	-0.0004	0.1808	-0.1512	-0.0875	0.0157	0.1636	-0.0091	0.0098	0.1428	0.004	0.1368	-18.3557	8.7148	12.7981
4	1.3053	-0.1554	-0.3101	1.5801	0.0149	1.0231	-0.0186	-0.1714	0.0265	0.1138	0.0023	-0.1491	-0.0575	0.1309	0.0095	0.1338	-0.0131	-0.0132	0.1509	0.0043	0.1333	-4.8801	2.9689	29.7092
5	0.5519	0.2668	0.172	0.5206	0.4549	1.9013	-0.0028	-0.039	-0.1134	0.0621	0.01	-0.0709	0.1764	-0.0425	-0.0308	0.1667	-0	0.0309	0.1303	0.0188	0.2065	-13.5406	-13.2008	26.7845
6	1.545	-0.4521	0.5183	0.7765	-0.6675	2.2441	-0.0329	-0.1634	-0.1153	0.0585	0.0421	0.109	0.064	0.0013	-0.0179	0.1638	-0.0041	0.0083	0.15	0.0103	0.1629	-20.181	-4.9058	33.5211
7	5.1571	1.7804	1.9246	8.3482	4.398	9.1743	0.1314	-0.3593	0.058	0.2591	-0.0094	-0.1146	-0.2841	-0.2036	-0.0302	0.1358	0.0142	0.0414	0.1325	0.0371	0.1435	-21.193	10.2283	34.2968
8	2.4299	0.1958	-2.5702	1.6697	0.3628	6.0296	0.016	0.1839	0.0564	-0.2012	-0.0248	0.1489	-0.0867	-0.2343	-0.0414	0.1396	0.0132	-0.0352	0.1061	0.0174	0.1452	-7.5254	4.5507	-6.8071
9	1.9082	-1.0109	-0.0291	1.8418	0.4826	1.1299	0.1744	0.2588	-0.2419	-0.0852	-0.1432	0.0609	0.2037	0.1895	-0.0915	0.1512	-0.0235	0.0151	0.1087	-0.005	0.1702	17.1158	-16.6861	-7.0961
10	0.933	-0.2329	-0.4856	0.5239	0.1511	0.4796	-0.0491	-0.1027	-0.0763	0.0532	0.0256	0.0256	0.0218	0.0547	0.0218	0.1324	-0.0081	0.0002	0.1299	-0.0013	0.1227	7.7864	-5.272	3.8237
11	1.4814	-0.5866	-0.4521	2.7602	-0.5926	2.1584	-0.0505	0.0281	-0.1896	-0.115	-0.0556	0.0331	0.1683	-0.0449	0.1239	0.1252	-0.019	0.0096	0.1164	-0.0143	0.1838	3.6313	-13.7353	-2.7283
12	8.0702	0.9626	0.9207	3.3354	0.4318	4.0018	0.2204	-0.7716	-0.1838	0.4177	-0.0581	-0.1299	0.1751	0.0996	-0.1275	0.2158	-0.004	-0.0116	0.197	0.0273	0.1203	15.9734	-9.6353	18.2518
13	2.1608	-0.6749	0.3389	1.6748	-0.58	0.9923	0.0269	-0.1946	-0.0318	0.1431	0.0208	-0.0041	-0.0357	0.0689	-0.0245	0.1055	-0.0132	-0.0073	0.1184	0.0007	0.0756	17.5478	-0.0755	8.5961
14	2.6558	-0.5494	0.227	0.4745	-0.2306	0.5197	-0.0106	-0.1242	0.2117	0.0491	0.0004	-0.0616	-0.0999	0.0262	0.0407	0.1518	-0.0174	0.0157	0.1205	-0.0005	0.1455	12.8181	10.9501	-0.5058
15	1.562	0.2132	0.4784	1.0575	0.0827	1.0858	0.0689	0.0205	0.0656	-0.0632	-0.0213	-0.0414	0.0333	0.0909	-0.03	0.1361	-0.0012	0.016	0.1263	0.002	0.1377	21.8311	3.2741	-4.7159
16	6.1828	-1.6884	3.2362	5.1261	-2.1875	6.932	0.0711	0.1767	-0.035	0.0327	-0.0491	-0.4961	0.0721	0.4776	-0.0307	0.1282	-0.0196	0.0275	0.1432	-0.0145	0.1505	25.2253	-11.4491	-3.0956
17	3.2979	0.2573	-0.9773	2.188	-0.5048	2.6135	-0.0418	-0.1418	-0.4055	0.0122	-0.0687	0.0399	0.2822	-0.105	0.115	0.2129	-0.0116	-0.0045	0.1467	0.0163	0.2078	14.2425	-59.1952	35.5626
18	0.8283	-1.3415	-0.3633	4.8741	0.0895	0.2444	0.0402	0.0123	-0.1778	-0.0893	-0.0696	0.633	-0.0166	-0.0683	0.0355	0.1916	-0.0123	-0.0165	0.2322	0.0113	0.2597	-7.7448	-35.698	36.7795
19	1.0099	-0.2178	-0.5645	0.6249	0.3627	0.455	-0.0062	-0.0011	0.0205	0.0152	0.014	0.0323	0.028	-0.0317	-0.0094	0.1379	-0.0046	0.0063	0.1368	0.007	0.1381	10.3582	-38.6443	36.8092
20	2.228	-0.1807	-0.2848	4.0643	-1.279	2.0969	-0.004	0.2899	-0.2106	-0.2048	-0.0145	0.1599	0.1018	-0.216	0.012	0.1417	-0.0021	-0.0141	0.1569	-0.0284	0.1296	2.5671	-42.2171	29.1217
21	3.0922	0.5545	0.7751	4.2842	1.4938	2.7084	0.0485	-0.0667	0.3295	-0.0269	0.0988	-0.012	-0.2392	0.1798	-0.1432	0.1949	-0.0241	0.0419	0.1535	0.0207	0.1858	14.817	-22.1288	36.9487
22	0.9439	-0.4691	-0.0232	1.7538	-0.308	0.7619	-0.0146	-0.0581	0.025	0.129	-0.0023	0.0304	-0.0665	0.0408	0.006	0.1695	-0.0101	0.0208	0.162	-0.0143	0.1414	12.599	-31.5364	46.2994
23	1.3517	-0.9719	-0.6059	2.3662	0.8673	2.3556	-0.0206	-0.2362	-0.0446	0.3832	0.0214	0.1101	0.0971	0.0587	-0.0027	0.1715	-0.0034	0.0078	0.1944	0.025	0.1208	12.1544	-42.538	54.2913
24	0.8265	-0.477	-0.4426	2.551	1.2534	1.0758	-0.0686	-0.186	-0.0253	0.1607	0.0846	0.0146	0.1689	0.0301	-0.0285	0.1945	0.0063	0.0142	0.1638	0.0224	0.1695	17.7307	-47.9287	50.8198
25	1.033	0.3925	0.4468	1.0316	0.1214	1.1677	-0.0663	-0.1026	0.0413	0.01	0.0761	0.1501	-0.0331	-0.0953	-0.0112	0.159	0.0073	0.0295	0.1385	0.0059	0.1532	3.2709	-39.3932	53.878
26	3.2778	-1.2076	0.1883	2.0055	-0.3265	4.3771	0.0181	-0.0968	0.2093	0.2988	0.0854	0.1814	-0.2189	-0.2727	-0.0916	0.1513	-0.0082	0.0276	0.2097	-0.0013	0.1735	-5.3353	-30.0344	45.2798
27	3.7539	0.05	-1.1254	1.1914	-1.0702	2.894	-0.0595	0.4205	-0.3309	-0.1704	-0.0391	0.0622	0.2972	-0.2724	0.1484	0.1725	-0.014	-0.0247	0.1812	-0.048	0.1625	18.2949	-51.2558	15.0423
28	2.4236	-0.0779	0.8875	1.2653	0.8273	1.3425	0.0769	0.1221	-0.2748	0.1227	0.1483	-0.2651	0.1299	0.2159	-0.2374	0.2057	0.0065	0.0147	0.1537	0.0218	0.1965	48.9779	-52.0124	23.8083
29	0.5906	-0.2	-0.3229	0.5669	0.0864	0.1907	0.0262	-0.0255	0.0111	0.0088	-0.0332	-0.0192	0.0281	0.004	0.013	0.1274	0.0005	-0.001	0.1353	0.0055	0.126	33.3604	-42.9841	26.7551
30	2.2749	-1.079	-0.0199	1.0549	-0.1333	0.8647	-0.0421	-0.1022	-0.2696	0.0877	-0.0521	0.0658	0.2188	0.0197	0.0906	0.192	-0.018	0.0306	0.1278	0.0202	0.1751	35.3475	-54.1816	27.7064
31	6.872	2.1365	0.8232	3.0613	1.05	2.5785	0.2668	-0.3362	0.4065	0.3841	-0.2015	0.0005	-0.1707	0.0503	-0.0567	0.2084	0.0045	-0.005	0.17	-0.0101	0.1398	39.2868	-32.7387	39.2545
32	1.7582	0.1909	0.5412	0.8129	0.0437	1.4013	0.0505	-0.0941	0.1067	0.0844	-0.034	0.0157	-0.0827	0.0377	0.0083	0.1393	-0.0114	0.0047	0.1116	-0.0074	0.1304	38.1105	-31.9615	25.6868
33	3.6448	1.4925	-0.4767	1.1849	-0.3188	0.4219	0.032	0.221	0.2345	-0.0993	0.0254	0.0747	-0.0952	-0.0994	-0.0309	0.1422	0.0252	0.0031	0.1607	0.0092	0.1066	30.7328	-33.0084	12.5865
34	0.9542	0.3494	-0.3846	2.4238	0.2457	1.0409	-0.0052	0.0708	-0.0164	0.0184	-0.0237	-0.0957	0.076	-0.0223	0.0301	0.1448	0.0073	0.0115	0.1506	0.0053	0.1517	43.0448	-35.8834	12.7829
35	4.4389	2.3292	1.2789	6.3624	2.4456	6.0415	-0.0589	0.0608	-0.0689	-0.0918	0.1266	-0.5442	-0.1609	0.5721	-0.103	0.13	0.0079	0.0346	0.1733	0.0173	0.1804	52.5468	-42.2875	22.6263
36	4.7208	-1.5721	-2.3925	3.0375	0.2165	3.5849	0.2441	-0.1137	0.7441	0.2074	0.1841	-0.4237	-0.6447	0.1708	-0.3537	0.2936	-0.0025	0.0208	0.198	-0.0599	0.3136	15.137	18.4974	63.5253
37	0.956	0.2306	-0.1555	1.4214	-0.9194	2.2603	0.1546	-0.2281	-0.1786	0.7101	-0.1271	-0.1919	-0.0729	-0.0365	-0.0313	0.2804	-0.0143	-0.0766	0.3239	0.0238	0.2417	8.802	-4.901	84.874
38	0.7216	0.1987	-0.1421	0.9505	-0.0969	0.8514	-0.0172	-0.0945	-0.0288	0.0082	0.0025	-0.1157	0.0523	0.0338	0.0071	0.1831	0.0183	0.0104	0.2065	-0.0096	0.1684	12.2601	-1.9345	67.1995
39	1.2084	-0.3852	0.0276	1.7655	-1.363	2.4515	0.0385	-0.3197	-0.0473	0.2339	-0.1885	-0.3181	-0.139	0.258	0.1096	0.223	-0.0059	-0.0599	0.3157	-0.0051	0.2484	18.6883	1.5796	76.2744
40	4.6515	2.0181	-0.8976	5.6112	-0.7177	4.7983	-0.5424	0.423	-0.744	-0.1095	0.2636	-0.135	0.5012	-0.1829	0.2012	0.2514	0.0496	0.083	0.1945	-0.0297	0.3199	12.0482	-18.5029	62.6863
41	1.2645	0.3871	-0.2544	2.6776	-0.8066	1.1273	-0.0402	0.0381	-0.1398	-0.0416	-0.0143	-0.0635	0.1524	-0.0723	0.0471	0.1776	0.0129	0.0091	0.1823	-0.0135	0.1577	3.1026	-8.4893	63.307
42	1.6056	0.59	-0.456	1.0416	-0.3566	0.8395	0.0108	0.0574	0.1057	0.0317	0.0589	0.0625	-0.0547	-0.1303	-0.0684	0.1829	0.0326	0.013	0.2136	-0.0017	0.167	-3.6545	3.0712	64.4241
43	4.3416	2.5386	0.0313	2.0082	0.5751	2.4399	0.2814	-0.2025	-0.1607	0.4787	-0.2941	-0.0498	0.0442	-0.0365	0.0212	0.2231	0.0188	-0.0035	0.2978	0.0042	0.1231	0.7911	-9.927	80.9833
44	2.7494	0.9095	0.8094	2.6122	-0.4872	1.2475	0.0843	-0.5642	0.2545	0.2208	0.0301	-0.6484	-0.5143	0.5485	-0.0659	0.322	-0.0827	-0.0341	0.4084	-0.1743	0.3934	35.3009	12.4534	62.762
45	2.0463	1.9562	2.478	2.0557	2.9686	5.0523	-0.1941	0.3458	0.2897	-0.4091	0.2357	0.0844	-0.9161	0.1162	-0.0515	0.4354	-0.0444	0.0264	0.3275	0.1101	0.4367	33.5358	8.5372	31.1653
46	2.193	-0.0404	-0.4626	1.3489	0.4372	0.8544	-0.0127	-0.0008	0.2389	-0.0096	0.0329	-0.1031	-0.0044	0.0227	-0.0145	0.1331	-0.0014	0.0028	0.1362	-0.005	0.165	28.0885	1.0659	46.9327
47	3.1037	0.8156	-0.2681	1.2239	-0.3106	2.2785	0.3056	0.4815	1.0218	-0.1344	-0.043	0.1249	-0.4203	-0.1282	-0.1851	0.2991	0.0545	0.078	0.2388	0.0568	0.4559	26.28	11.7949	42.9395
48	4.1169	-0.0034	-0.2994	6.1075	1.3837	6.1718	-0.1881	0.3426	-0.4061	-0.0251	-0.0556	0.3484	0.3021	-0.3136	0.2524	0.1278	-0.0363	-0.0018	0.1925	-0.0107	0.1701	18.4931	-11.6061	40.0776
49	2.2215	0.2091	0.1223	1.3414	0.2741	2.5477	-0.0758	0.0241	-0.1283	0.0352	0.0313	0.0144	0.1075	-0.0723	0.055	0.1592	-0.009	0.0179	0.1534	-0.0104	0.1709	31.3271	-10.0797	44.1505
50	1.611	-0.5604	-0.8764	1.4927	0.6987	2.7593	-0.1963	-0.4618	0.0315	0.0989	0.0537	-0.1844	0.1803	0.2872	0.1242	0.1607	0.0286	-0.0254	0.31	-0.0019	0.2312	42.31	-6.4958	53.8045
51	1.6458	-0.9347	-0.7884	3.2848	0.0883	1.164	-0.0355	-0.0295	0.2046	-0.0234	-0.0246	-0.2236	0.0553	0.1194	0.0486	0.1757	-0.0312	0.008	0.1923	0.0088	0.2201	44.5564	-5.1311	41.5846
52	4.6757	1.1761	1.9925	5.1642	2.0842	5.6709	-0.0472	0.883	0.1816	-0.5352	0.2591	-0.0976	-0.2406	0.0296	-0.2538	0.205	-0.0287	0.0547	0.347	0.0592	0.2137	36.8143	-1.2884	29.3218

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 5 through 30 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 31 through 107 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 108 through 130 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 131 through 197 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 198 through 240 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 241 through 267 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 268 through 285 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 5 through 30 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 31 through 50 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 51 through 107 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 108 through 130 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 131 through 148 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 149 through 197 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 198 through 240 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 241 through 267 )
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 268 through 285 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 5 through 30 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 31 through 50 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 51 through 107 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 108 through 130 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 131 through 148 )
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 149 through 197 )
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 198 through 222 )
24	X-RAY DIFFRACTION	24	chain 'C' and (resid 223 through 240 )
25	X-RAY DIFFRACTION	25	chain 'C' and (resid 241 through 267 )
26	X-RAY DIFFRACTION	26	chain 'C' and (resid 268 through 285 )
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 5 through 30 )
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 31 through 50 )
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 51 through 107 )
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 108 through 130 )
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 131 through 148 )
32	X-RAY DIFFRACTION	32	chain 'D' and (resid 149 through 197 )
33	X-RAY DIFFRACTION	33	chain 'D' and (resid 198 through 240 )
34	X-RAY DIFFRACTION	34	chain 'D' and (resid 241 through 267 )
35	X-RAY DIFFRACTION	35	chain 'D' and (resid 268 through 285 )
36	X-RAY DIFFRACTION	36	chain 'E' and (resid 5 through 30 )
37	X-RAY DIFFRACTION	37	chain 'E' and (resid 31 through 50 )
38	X-RAY DIFFRACTION	38	chain 'E' and (resid 51 through 107 )
39	X-RAY DIFFRACTION	39	chain 'E' and (resid 108 through 130 )
40	X-RAY DIFFRACTION	40	chain 'E' and (resid 131 through 148 )
41	X-RAY DIFFRACTION	41	chain 'E' and (resid 149 through 197 )
42	X-RAY DIFFRACTION	42	chain 'E' and (resid 198 through 267 )
43	X-RAY DIFFRACTION	43	chain 'E' and (resid 268 through 285 )
44	X-RAY DIFFRACTION	44	chain 'F' and (resid 5 through 30 )
45	X-RAY DIFFRACTION	45	chain 'F' and (resid 31 through 50 )
46	X-RAY DIFFRACTION	46	chain 'F' and (resid 51 through 107 )
47	X-RAY DIFFRACTION	47	chain 'F' and (resid 108 through 130 )
48	X-RAY DIFFRACTION	48	chain 'F' and (resid 131 through 148 )
49	X-RAY DIFFRACTION	49	chain 'F' and (resid 149 through 197 )
50	X-RAY DIFFRACTION	50	chain 'F' and (resid 198 through 240 )
51	X-RAY DIFFRACTION	51	chain 'F' and (resid 241 through 267 )
52	X-RAY DIFFRACTION	52	chain 'F' and (resid 268 through 285 )

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