PDB-4fur: Crystal Structure of Urease subunit gamma 2 from Brucella meliten...

ID or keywords:

Entry

Database: PDB / ID: 4fur

Title

Crystal Structure of Urease subunit gamma 2 from Brucella melitensis biovar Abortus 2308

Components

Urease subunit gamma 2

Keywords

HYDROLASE / Structural Genomics / NIAID / National Institute of Allergy and Infectious Diseases / Seattle Structural Genomics Center for Infectious Disease / SSGCID / Urease

Function / homology

Function and homology information

urease / urease activity / urea catabolic process / nickel cation binding / cytoplasm
Similarity search - Function

Biological species

Brucella melitensis biovar Abortus (bacteria)

Method

X-RAY DIFFRACTION /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 2.1 Å

Authors

Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Citation

Journal: TO BE PUBLISHED
Title: Crystal Structure of Urease subunit gamma 2 from Brucella melitensis biovar Abortus 2308
Authors: Fairman, J.W. / Davies, D.R. / Staker, B.L. / Stewart, L.

History

Deposition	Jun 28, 2012	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Aug 15, 2012	Provider: repository / Type: Initial release
Revision 1.1	Sep 13, 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 / struct_ref_seq_dif / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4fur.cif.gz	251.8 KB	Display	PDBx/mmCIF format
PDB format	pdb4fur.ent.gz	207.2 KB	Display	PDB format
PDBx/mmJSON format	4fur.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	4fur_validation.pdf.gz	476.4 KB	Display	wwPDB validaton report
Full document	4fur_full_validation.pdf.gz	481.2 KB	Display
Data in XML	4fur_validation.xml.gz	27.3 KB	Display
Data in CIF	4fur_validation.cif.gz	39.7 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/fu/4fur ftp://data.pdbj.org/pub/pdb/validation_reports/fu/4fur	HTTPS FTP

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Related structure data

Related structure data	2kauS S: Starting model for refinement
Similar structure data	2fvh-d 2fsk-2 2fsk-1 2e5y-d 2b2n-1 1jce-d 6dgc-2 4cze-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
Other databases	TargetTrack: SSGCID-BrabA.17547.a

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#158 - Feb 2013 Proton-Gated Urea Channel similarity (4)

Deposited unit

A: Urease subunit gamma 2

B: Urease subunit gamma 2

C: Urease subunit gamma 2

D: Urease subunit gamma 2

E: Urease subunit gamma 2

F: Urease subunit gamma 2

hetero molecules

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

1

A: Urease subunit gamma 2

B: Urease subunit gamma 2

C: Urease subunit gamma 2

hetero molecules

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

2

D: Urease subunit gamma 2

E: Urease subunit gamma 2

F: Urease subunit gamma 2

hetero molecules

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

Unit cell

Length a, b, c (Å)	83.510, 145.010, 137.180
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	20
Space group name H-M	C222₁

#1: Protein	Urease subunit gamma 2 / Urea amidohydrolase subunit gamma 2 Mass: 11257.007 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Brucella melitensis biovar Abortus (bacteria) Strain: 2308 / Gene: ureA2, BAB1_1376 / Production host: Escherichia coli (E. coli) / References: UniProt: Q2YQE0, urease
#2: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 13 / Source method: obtained synthetically / Formula: Cl
#3: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₂H₆O₂
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 382 / 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: 3.07 Å³/Da / Density % sol: 59.99 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: Morpheus B2: 0.1 M Imidazole/MES pH 6.50, 0.09 M sodium fluoride, 0.09 M sodium bromide, 0.09 M sodium iodide, 30% ethylene glycol, 30% PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 289K

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

ROTATING ANODE / Type: RIGAKU FR-E+ SUPERBRIGHT / Wavelength: 1.54 Å

Detector

Type: RIGAKU SATURN 944+ / Detector: CCD / Date: May 5, 2012

Radiation

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

Radiation wavelength

Wavelength: 1.54 Å / Relative weight: 1

Reflection twin

Crystal-ID	ID	Operator	Domain-ID	Fraction
1	1	H, K, L	1	0.665
1	1	1/2H+1/2K, 3/2H-1/2K, -L	2	0.173
1	1	-1/2H+1/2K, 3/2H+1/2K, -L	3	0.163

Reflection

Resolution: 2.1→50 Å / Num. all: 48876 / Num. obs: 48192 / % possible obs: 98.6 % / Observed criterion σ(I): -3 / B_iso Wilson estimate: 31.178 Å² / R_merge(I) obs: 0.087 / Net I/σ(I): 14.8

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Highest resolution (Å)	R_merge(I) obs	Mean I/σ(I) obs	Num. measured obs	Num. unique obs	% possible all
2.1-2.15		0.354	4.37	13926	3219	90.5
2.15-2.21		0.356	5.21	18236	3421	97.9
2.21-2.28		0.331	5.8	17887	3326	98.4
2.28-2.35		0.31	5.91	17977	3262	98.7
2.35-2.42		0.258	6.9	17395	3150	98.9
2.42-2.51		0.218	7.98	17004	3077	99.1
2.51-2.6		0.175	9.46	16471	2984	99.3
2.6-2.71		0.158	10.46	15632	2846	99.4
2.71-2.83		0.129	12.08	15251	2754	99.6
2.83-2.97		0.115	12.98	14611	2646	99.6
2.97-3.13		0.092	15.39	13856	2507	99.8
3.13-3.32		0.073	18.64	13223	2387	99.7
3.32-3.55		0.06	22.89	12267	2247	99.8
3.55-3.83		0.05	28	11513	2126	99.8
3.83-4.2		0.043	32.29	10302	1936	99.7
4.2-4.7		0.039	35.81	9295	1753	99.8
4.7-5.42		0.047	30.8	8421	1568	99.9
5.42-6.64		0.052	27.87	7147	1338	100
6.64-9.39		0.036	37.88	5303	1052	99.7
	9.39	0.03	44.37	2782	593	95.3

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Phasing

Phasing	Method: molecular replacement

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Processing

Software

Name	Version	Classification
XSCALE		data scaling
PHASER		phasing
REFMAC	5.6.0117	refinement
PDB_EXTRACT	3.11	data extraction
StructureStudio		data collection
XDS		data reduction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 2KAU

2kau

Resolution: 2.1→50 Å / Cor.coef. F_o:F_c: 0.96 / Cor.coef. F_o:F_c free: 0.939 / Occupancy max: 1 / Occupancy min: 0.5 / SU B: 6.491 / SU ML: 0.088 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.031 / ESU R Free: 0.028 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT U VALUES : RESIDUAL ONLY

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.1878	2374	4.9 %	RANDOM
R_work	0.1509	-	-	-
all	0.1527	48876	-	-
obs	0.1527	48192	97.88 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK

Displacement parameters

B_iso max: 61.95 Å² / B_iso mean: 30.876 Å² / B_iso min: 3.75 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-16 Å²	-0 Å²	-0 Å²
2-	-	-19.81 Å²	-0 Å²
3-	-	-	35.81 Å²

Refinement step

Cycle: LAST / Resolution: 2.1→50 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	4493	0	17	382	4892

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.011	0.019	4778
X-RAY DIFFRACTION	r_angle_refined_deg	1.444	2.002	6526
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	4.683	5	652
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	29.642	25.179	195
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	13.854	15	876
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	14.959	15	27
X-RAY DIFFRACTION	r_chiral_restr	0.083	0.2	792
X-RAY DIFFRACTION	r_gen_planes_refined	0.006	0.021	3551

LS refinement shell

Resolution: 2.1→2.149 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.226	152	-
R_work	0.171	2779	-
all	-	2931	-
obs	-	-	81.39 %

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	10.4659	-0.6907	0.6773	6.6965	-1.5736	9.4982	-0.3534	-1.0575	-0.193	1.1124	0.3434	0.4216	-0.1773	-0.5048	0.01	0.3826	0.023	0.0391	0.3353	0.0203	0.2106	-4.053	63.9174	23.5253
2	6.556	1.1623	-1.2624	3.2649	-0.1915	1.327	0.0146	0.3924	0.1052	-0.2881	0.1708	0.1072	-0.0399	0.0104	-0.1854	0.0966	0.0097	-0.012	0.1259	-0.0396	0.104	9.9645	63.8772	11
3	4.7827	-2.9925	-1.5497	3.6516	-0.0911	1.1472	0.1972	0.3434	-0.5143	-0.324	-0.3633	0.2202	0.0233	0.0076	0.1661	0.18	-0.0043	-0.0121	0.2264	-0.1411	0.4135	-2.2007	52.541	10.1858
4	10.4964	-0.0366	-8.5429	2.7212	1.2686	28.2047	-0.5142	0.2342	-0.6865	-0.1309	-0.1166	0.4665	0.8796	-0.0011	0.6308	0.0953	0.0069	-0.0558	0.0358	-0.1139	0.421	2.4277	45.3086	8.5124
5	4.6892	-0.0847	2.3772	6.5	0.7041	6.1664	0.0611	0.3855	-0.2197	-0.5442	-0.1245	-0.0836	0.2115	0.1638	0.0635	0.081	0.0188	0.0398	0.1306	-0.111	0.1518	17.704	54.3284	8.6351
6	13.766	0.1234	-0.5412	1.0895	0.5484	0.3049	-0.0759	-0.0487	-0.1403	0.2805	0.0103	0.1471	0.1542	0.0031	0.0656	0.1046	0.0018	0.0032	0.187	0.0273	0.2954	2.0847	50.0229	18.3642
7	10.5162	1.4022	-5.2168	6.4821	-0.8767	4.6735	0.192	0.1281	-0.8312	-0.1446	0.0723	0.3639	0.3216	-0.182	-0.2642	0.134	-0.0114	-0.1284	0.1336	-0.0204	0.3625	9.0342	47.613	14.6001
8	6.9185	-2.8697	3.7573	7.4696	-7.1623	22.3694	0.0967	-1.0536	-0.6125	0.2291	0.3167	0.0355	1.2628	-0.1791	-0.4134	0.3048	-0.0086	-0.0701	0.2639	0.063	0.2127	9.9642	70.2392	22.6536
9	8.0266	-2.2704	3.2444	4.9871	-3.1009	6.8848	0.387	0.0139	-0.541	-0.3421	0.0314	0.0719	0.437	-0.0142	-0.4184	0.1171	-0.0023	-0.0441	0.0799	-0.0147	0.1189	3.8196	77.596	11.1991
10	3.9814	-1.9471	0.9363	2.8495	-0.3719	0.3626	0.0891	0.2256	0.0379	-0.1493	-0.0463	-0.1204	-0.0588	0.0278	-0.0428	0.1312	-0.011	-0.0067	0.118	0.0196	0.0744	6.0313	83.9802	10.181
11	0.5472	-1.2713	-0.0062	19.6519	-4.1528	1.0796	0.1466	-0.0464	0.1155	-0.5107	-0.211	-0.3876	0.0142	0.1526	0.0644	0.1106	-0.0247	0.0456	0.1943	0.013	0.2375	22.2905	81.4047	8.7521
12	3.7987	0.3961	-1.1505	4.6107	1.0317	6.0308	-0.1177	0.3041	0.2689	-0.3013	0.0845	0.0282	-0.2792	0.0542	0.0332	0.1132	-0.0253	0.0002	0.1001	0.0501	0.0866	6.2643	93.8978	8.9482
13	4.0291	-6.3145	0.2606	12.1033	-0.2987	1.1637	-0.0058	-0.2208	-0.0365	0.0261	-0.0722	-0.4043	0.0189	0.2364	0.078	0.1386	0.015	-0.0406	0.1915	0.0449	0.2407	19.9806	81.538	18.1351
14	2.6701	1.3712	-0.7353	5.4718	-0.0498	2.0483	-0.0142	0.199	0.2233	0.1982	0.0181	-0.6545	-0.0397	0.4052	-0.0038	0.1587	-0.033	-0.0083	0.1867	0.0121	0.1934	18.0502	89.2816	14.5723
15	0.6374	-1.3621	0.0464	4.3999	2.7272	7.1777	-0.1237	-0.1112	0.3429	0.5882	0.0839	-0.7069	-0.0779	0.6271	0.0399	0.5149	-0.1779	-0.0465	0.6729	-0.0512	0.3601	-1.6123	79.4638	23.5842
16	0.8601	0.6113	-0.312	6.251	1.6826	1.9832	-0.0276	0.069	0.0081	-0.1554	0.1274	-0.1907	-0.0498	0.0933	-0.0998	0.0724	-0.0144	0.0012	0.1539	-0.0121	0.0655	-9.4023	67.981	10.9176
17	3.9454	-1.5566	-0.6382	1.7055	0.9022	0.5116	-0.1955	0.6152	-0.1665	-0.2549	0.0443	0.3235	-0.1168	0.0864	0.1512	0.2607	-0.0401	-0.0801	0.2647	0.057	0.2692	-12.2015	84.8935	10.6281
18	8.4182	-0.1515	-1.0492	9.2256	-5.6324	20.6057	-0.1278	0.2321	0.1781	0.1735	-0.1945	0.6967	-0.4793	-0.8795	0.3223	0.0811	0.0008	-0.0534	0.1504	0.0279	0.2195	-21.6614	82.9595	8.9111
19	3.8573	0.4455	-1.0069	8.1002	-1.573	6.6386	-0.0493	0.4327	-0.1562	-0.6102	-0.0262	0.2299	-0.0397	-0.237	0.0755	0.0957	-0.0141	-0.0669	0.1636	-0.0272	0.0735	-20.1949	65.6787	7.0916
20	0.8881	0.4368	-1.4804	7.263	5.8595	8.6805	-0.0983	-0.0057	0.1935	-0.3362	0.2665	0.2796	-0.1883	0.1859	-0.1682	0.128	0.0255	-0.0151	0.2312	-0.0089	0.1251	-23.2456	67.3201	16.7044
21	4.2621	2.6336	1.4907	6.1936	0.1932	1.7102	0.1065	-0.1244	0.2855	0.4896	-0.0831	0.1396	-0.1476	-0.0245	-0.0234	0.0753	-0.0123	0.024	0.1512	-0.0114	0.1235	-18.749	80.2856	16.8086
22	5.5955	2.3077	1.1017	12.7782	-1.0056	10.1427	0.04	0.9859	-0.5879	-1.0042	0.2678	0.3524	0.8129	-0.5577	-0.3077	0.3396	-0.0006	-0.0692	0.4065	-0.0613	0.294	35.5146	50.2053	10.9326
23	8.1385	0.7963	5.866	2.9647	-0.3062	7.7797	0.1562	-0.0246	-0.3645	0.1094	-0.0555	0.1014	0.2425	-0.0161	-0.1007	0.0906	-0.0017	0.0342	0.1061	-0.009	0.0966	47.0479	54.5667	24.7849
24	4.7321	0.5302	0.5322	0.2087	0.0055	0.1137	0.0654	-0.0783	0.2532	0.1217	-0.0489	0.134	-0.0521	-0.0617	-0.0166	0.1367	-0.0007	0.0323	0.147	-0.0129	0.1676	40.8125	61.3279	22.9318
25	2.0329	1.481	6.8339	8.5279	-3.5768	33.0706	-0.1954	-0.033	0.2898	-0.0297	0.4169	0.9217	-0.6934	-0.7214	-0.2215	0.0913	0.0165	0.0158	0.1983	0.0315	0.6487	30.0404	69.1925	24.1933
26	6.4813	-1.1042	-1.016	2.8349	-0.7371	4.9412	0.0795	-0.0556	0.4546	0.2012	-0.0002	0.1682	-0.1758	-0.1927	-0.0793	0.1081	-0.028	0.0208	0.0726	-0.0597	0.1449	47.7839	69.7635	25.3857
27	20.4307	4.2793	5.5639	10.4132	-1.7962	2.4488	-0.1147	0.5889	0.0089	-0.0927	-0.0049	-0.5098	-0.0131	0.1277	0.1196	0.2746	0.0269	0.0211	0.4042	0.0642	0.2422	37.787	66.7434	14.0126
28	5.8891	1.4094	1.7468	0.6948	0.4291	0.6093	-0.1665	0.2953	0.6118	-0.0832	0.0225	0.3091	-0.1405	-0.0214	0.144	0.2388	-0.007	-0.0118	0.271	0.0136	0.2524	33.572	67.3394	18.6478
29	4.4036	-1.8235	-0.8413	4.9419	1.8517	9.7787	0.1712	0.382	0.0264	-0.6986	0.0897	-0.251	0.208	0.4993	-0.2609	0.1671	-0.0076	0.0151	0.2309	-0.0556	0.1592	42.7381	39.1675	12.9476
30	2.0691	-1.5275	-0.3568	3.8452	1.7335	1.812	0.0232	-0.0928	0.0192	0.0451	0.0295	0.1208	-0.0063	-0.0289	-0.0527	0.0623	-0.0164	0.0206	0.1205	-0.0174	0.1089	31.0395	43.9502	24.0462
31	14.7605	-0.6869	-1.9162	1.4138	-2.3666	4.6208	-0.0597	-0.6954	-0.5651	0.0395	0.1827	0.1352	-0.0398	-0.222	-0.123	0.1927	-0.0412	-0.0115	0.2069	-0.0322	0.1959	33.4317	26.181	25.3951
32	4.6232	-3.9365	4.0178	9.4939	-0.9673	4.9338	0.0346	-0.4073	-0.1137	0.2919	-0.0387	0.5433	-0.0158	-0.4516	0.004	0.0852	-0.0216	0.0758	0.1623	0.0102	0.2176	21.5953	41.9049	27.3639
33	9.3527	-9.5938	-6.3082	10.2926	4.4633	13.3536	0.2114	0.0943	-0.5773	-0.3648	-0.1212	0.7135	0.1545	-0.324	-0.0902	0.1468	0.0401	-0.0946	0.2239	-0.0387	0.3963	18.2999	39.8006	18.6213
34	35.6305	-7.272	2.8785	8.0411	-1.7802	0.4796	0.0683	0.6047	0.7818	-0.4583	-0.0439	0.0603	0.0957	-0.0486	-0.0244	0.1803	0.0324	-0.059	0.2965	0.0299	0.1777	31.5448	31.2017	14.6942
35	7.0218	-4.988	-2.0841	5.0906	2.8794	2.7884	0.1554	0.3734	-0.3872	-0.0679	-0.2565	0.451	0.1499	-0.2011	0.1011	0.0871	-0.0513	-0.0013	0.0747	0.0024	0.1677	29.2853	28.5612	18.9428
36	1.5008	1.399	4.6063	5.555	-0.9924	21.3789	-0.1985	-0.0541	0.0996	-1.0428	0.0161	-0.0495	-0.2508	-0.6356	0.1824	0.6515	0.235	0.173	0.5006	0.1632	0.5382	49.5484	53.5836	9.8672
37	3.8458	2.5819	-0.8761	9.3644	-6.5444	8.2935	0.0735	-0.0216	0.0647	0.2672	0.1679	0.1368	-0.1572	-0.2893	-0.2414	0.0837	0.0235	0.0013	0.133	-0.042	0.0842	48.7257	40.2187	23.1537
38	1.7354	1.659	0.1764	5.4293	0.3901	0.0319	0.0439	-0.2047	-0.1176	0.0211	-0.0206	-0.3645	0.0022	-0.0212	-0.0233	0.1033	-0.0105	-0.0169	0.1333	0.0052	0.1026	57.9768	42.5108	22.6135
39	11.7104	-11.5495	3.1837	14.4752	-3.4856	17.4419	-0.1522	-0.3336	-0.0998	0.1817	0.0789	-0.31	0.3047	0.7978	0.0734	0.2055	-0.0218	-0.0269	0.2486	-0.049	0.254	68.933	45.6321	25.9555
40	4.6899	2.395	-0.1833	8.13	3.0397	7.0521	-0.0329	-0.3294	-0.1576	0.2941	0.0605	-0.4024	0.1405	0.26	-0.0277	0.0888	0.0104	-0.1058	0.1036	0.0279	0.1438	59.9633	30.3059	25.5102
41	0.1597	1.0757	0.1376	10.2646	1.598	2.8178	-0.0159	0.0827	-0.1408	-0.3618	0.0281	-0.5565	-0.1111	0.1362	-0.0122	0.0976	0.0173	0.0412	0.2207	-0.069	0.2984	63.9286	46.5079	16.2101
42	2.799	4.9762	-2.2668	11.2752	-7.7847	7.7794	-0.0802	0.0948	-0.5389	-0.4161	-0.3402	-1.011	0.27	0.7751	0.4204	0.2395	0.032	0.1264	0.1407	-0.0556	0.3601	66.7168	39.3194	19.2569

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	1 - 10
2	X-RAY DIFFRACTION	2	A	11 - 41
3	X-RAY DIFFRACTION	3	A	42 - 53
4	X-RAY DIFFRACTION	4	A	54 - 59
5	X-RAY DIFFRACTION	5	A	60 - 76
6	X-RAY DIFFRACTION	6	A	77 - 90
7	X-RAY DIFFRACTION	7	A	91 - 100
8	X-RAY DIFFRACTION	8	B	3 - 12
9	X-RAY DIFFRACTION	9	B	13 - 22
10	X-RAY DIFFRACTION	10	B	23 - 47
11	X-RAY DIFFRACTION	11	B	48 - 61
12	X-RAY DIFFRACTION	12	B	62 - 76
13	X-RAY DIFFRACTION	13	B	77 - 90
14	X-RAY DIFFRACTION	14	B	91 - 100
15	X-RAY DIFFRACTION	15	C	1 - 10
16	X-RAY DIFFRACTION	16	C	11 - 43
17	X-RAY DIFFRACTION	17	C	44 - 53
18	X-RAY DIFFRACTION	18	C	54 - 59
19	X-RAY DIFFRACTION	19	C	60 - 73
20	X-RAY DIFFRACTION	20	C	74 - 80
21	X-RAY DIFFRACTION	21	C	81 - 100
22	X-RAY DIFFRACTION	22	D	1 - 11
23	X-RAY DIFFRACTION	23	D	12 - 27
24	X-RAY DIFFRACTION	24	D	28 - 52
25	X-RAY DIFFRACTION	25	D	53 - 57
26	X-RAY DIFFRACTION	26	D	58 - 78
27	X-RAY DIFFRACTION	27	D	79 - 83
28	X-RAY DIFFRACTION	28	D	84 - 100
29	X-RAY DIFFRACTION	29	E	1 - 15
30	X-RAY DIFFRACTION	30	E	16 - 46
31	X-RAY DIFFRACTION	31	E	47 - 60
32	X-RAY DIFFRACTION	32	E	61 - 72
33	X-RAY DIFFRACTION	33	E	73 - 78
34	X-RAY DIFFRACTION	34	E	79 - 85
35	X-RAY DIFFRACTION	35	E	86 - 100
36	X-RAY DIFFRACTION	36	F	1 - 8
37	X-RAY DIFFRACTION	37	F	9 - 28
38	X-RAY DIFFRACTION	38	F	29 - 53
39	X-RAY DIFFRACTION	39	F	54 - 59
40	X-RAY DIFFRACTION	40	F	60 - 76
41	X-RAY DIFFRACTION	41	F	77 - 90
42	X-RAY DIFFRACTION	42	F	91 - 100

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