PDB-6vst: Arginase from Medicago truncatula in complex with ornithine

ID or keywords:

Entry

Database: PDB / ID: 6vst

Title

Arginase from Medicago truncatula in complex with ornithine

Components

Arginase

Keywords

HYDROLASE / arginine amidinohydrolase / ureohydrolase / agmatinase / agmatine amidinohydrolase

Function / homology

Function and homology information

agmatinase / putrescine biosynthetic process from arginine, using agmatinase / agmatinase activity / arginase / arginase activity / arginine catabolic process to ornithine / urea cycle / protein hexamerization / mitochondrion / metal ion binding
Similarity search - Function

Biological species

Medicago truncatula (barrel medic)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.12 Å

Authors

Sekula, B.

Funding support

United States, 1items

Citation

Journal: Front Plant Sci / Year: 2020
Title: The Neighboring Subunit Is Engaged to Stabilize the Substrate in the Active Site of Plant Arginases.
Authors: Sekula, B.

History

Deposition	Feb 11, 2020	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Aug 12, 2020	Provider: repository / Type: Initial release
Revision 1.1	Aug 19, 2020	Group: Database references / Category: citation / citation_author Item: _citation.page_first / _citation.page_last ..._citation.page_first / _citation.page_last / _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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Download

PDBx/mmCIF format	6vst.cif.gz	1.5 MB	Display	PDBx/mmCIF format
PDB format	pdb6vst.ent.gz	1.2 MB	Display	PDB format
PDBx/mmJSON format	6vst.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	6vst_validation.pdf.gz	322.9 KB	Display	wwPDB validaton report
Full document	6vst_full_validation.pdf.gz	324.6 KB	Display
Data in XML	6vst_validation.xml.gz	1.9 KB	Display
Data in CIF	6vst_validation.cif.gz	41.9 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/vs/6vst ftp://data.pdbj.org/pub/pdb/validation_reports/vs/6vst	HTTPS FTP

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Related structure data

Related structure data	6vssSC 6vsuC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	6vss-d 6vsu-1 6vsu-3 6vsu-4 6vsu-2 1i33-2 3fz3-d 5wxu-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

Deposited unit

A: Arginase

B: Arginase

C: Arginase

D: Arginase

E: Arginase

F: Arginase

G: Arginase

H: Arginase

I: Arginase

J: Arginase

K: Arginase

L: Arginase

hetero molecules

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

1

A: Arginase

B: Arginase

C: Arginase

D: Arginase

E: Arginase

F: Arginase

hetero molecules

defined by author&software
Evidence: SAXS
226 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

G: Arginase

H: Arginase

I: Arginase

J: Arginase

K: Arginase

L: Arginase

hetero molecules

defined by author&software
226 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	83.672, 166.074, 150.875
Angle α, β, γ (deg.)	90.000, 94.500, 90.000
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	Arginase / Arginase family protein / Putative arginase Mass: 37523.488 Da / Num. of mol.: 12 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Medicago truncatula (barrel medic) / Tissue: leaves / Gene: 11420737, MTR_4g024960, MtrunA17_Chr4g0011501 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: G7JFU5, arginase
#2: Chemical	... ChemComp-MN / MANGANESE (II) ION Mass: 54.938 Da / Num. of mol.: 24 / Source method: obtained synthetically / Formula: Mn / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical	ChemComp-ORN / L-ornithine Type: L-peptide linking / Mass: 132.161 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C₅H₁₂N₂O₂ / Feature type: SUBJECT OF INVESTIGATION
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1331 / 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: 2.32 Å³/Da / Density % sol: 47 %
Crystal grow	Temperature: 292 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 55 mM CaCl2, 55 mM MgCl2, 80 mM HEPES/MOPS buffer at pH 7.5, 30% ethylene glycol, 15 % polyethylene glycol 8000; cocrystallization with 50 mM L-arginine

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
Detector	Type: RAYONIX MX300-HS / Detector: CCD / Date: Nov 3, 2017
Radiation	Monochromator: Si (111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.12→41.52 Å / Num. obs: 231608 / % possible obs: 99.7 % / Observed criterion σ(I): -3 / Redundancy: 4.2 % / CC_1/2: 0.999 / R_merge(I) obs: 0.056 / Net I/σ(I): 15.5
Reflection shell	Resolution: 2.12→2.25 Å / Redundancy: 4 % / R_merge(I) obs: 0.714 / Mean I/σ(I) obs: 1.9 / Num. unique obs: 36997 / CC_1/2: 0.746 / % possible all: 98.9

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Processing

Software

Name	Version	Classification
PHENIX	1.11.1_2575	refinement
PDB_EXTRACT	3.25	data extraction
XSCALE	VERSION Jan 26, 2018	data scaling
XDS	VERSION Jan 26, 2018	data reduction
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 6VSS

6vss

Resolution: 2.12→41.52 Å / SU ML: 0.24 / Cross valid method: THROUGHOUT / σ(F): 1.36 / Phase error: 22.58

	R_factor	Num. reflection	% reflection
R_free	0.1991	1019	0.44 %
R_work	0.1597	-	-
obs	0.1599	231541	99.73 %

Solvent computation

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

Displacement parameters

B_iso max: 148.35 Å² / B_iso mean: 51.8951 Å² / B_iso min: 20.17 Å²

Refinement step

Cycle: final / Resolution: 2.12→41.52 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	29519	0	78	1331	30928
B_iso mean	-	-	57.54	49.98	-
Num. residues	-	-	-	-	3825

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.007	30190
X-RAY DIFFRACTION	f_angle_d	0.851	40892
X-RAY DIFFRACTION	f_chiral_restr	0.052	4612
X-RAY DIFFRACTION	f_plane_restr	0.005	5418
X-RAY DIFFRACTION	f_dihedral_angle_d	14.619	18367

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / R_factor R_free error: 0

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	% reflection obs (%)
2.12-2.23	0.2821	144	0.2475	32449	99
2.23-2.37	0.2141	146	0.2053	32946	100
2.37-2.55	0.2527	145	0.1879	32957	100
2.55-2.81	0.24	146	0.1886	32969	100
2.81-3.21	0.2589	146	0.1855	32973	100
3.22-4.05	0.1968	146	0.1462	33023	100
4.05-41.5	0.1465	146	0.1293	33205	100

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	3.0024	-1.6176	0.3735	3.1318	-0.2903	1.761	0.0627	-0.1132	-0.2825	-0.0515	0.0035	-0.1977	0.4775	0.0233	0.0128	0.4587	0.0058	-0.0189	0.2578	0.0433	0.4092	30.6137	58.2758	100.483
2	1.1772	0.5429	0.0017	2.557	-0.6164	2.5954	0.0236	-0.0712	-0.0928	0.0038	-0.0518	-0.247	0.0279	0.2213	0.0353	0.2849	0.0438	0.0239	0.2426	0.0103	0.2941	36.8065	73.7686	98.5258
3	5.311	0.6178	5.6111	0.654	1.1747	9.1876	-0.3654	0.0668	0.6837	-0.0148	-0.2176	0.098	-1.0107	-0.3934	0.6078	0.6128	0.117	0.0677	0.3179	0.035	0.5171	16.7711	109.4135	66.497
4	1.6258	0.4445	0.5849	1.5058	0.9469	3.387	0.0338	-0.1852	0.1676	0.1541	-0.1434	0.1559	-0.263	-0.2932	0.1211	0.3213	0.031	0.0392	0.2405	-0.0164	0.3811	26.7562	94.7552	76.3532
5	3.5114	-0.4128	1.9777	1.1634	1.4455	6.0698	0.1574	0.378	0.0952	-0.3747	-0.0516	0.2148	-0.6991	-0.1828	-0.0568	0.4937	0.1348	0.0403	0.3191	0.0621	0.4863	21.6711	102.7967	59.2473
6	1.51	-0.3856	-0.3781	2.4522	-0.1056	1.8195	0.0586	0.0582	0.2576	-0.1162	0.001	-0.3211	-0.3217	0.2184	-0.0541	0.2514	-0.0328	0.0264	0.2206	0.0025	0.3443	39.2434	92.8666	66.5019
7	1.5715	0.5273	-0.8314	2.9091	0.2061	2.6661	-0.1731	0.0107	-0.3406	-0.194	0.1088	-0.0081	0.5209	-0.0278	0.1008	0.3004	0.0548	0.021	0.244	-0.0137	0.3982	40.2163	50.5841	47.9168
8	1.4027	0.1848	-0.7099	2.6287	-0.1737	2.1995	0.0876	0.0414	0.0672	-0.1563	-0.0228	0.091	-0.2294	-0.0615	-0.102	0.2665	0.0172	0.0031	0.2972	-0.0068	0.3275	39.6444	68.3468	52.5068
9	4.5501	3.282	-0.5514	6.249	-1.208	3.6775	0.1595	0.1041	-0.4479	0.059	-0.0207	-0.201	0.8011	-0.0015	-0.0295	0.5198	0.0679	-0.0013	0.2412	-0.047	0.4346	40.1374	44.6015	53.0016
10	2.7751	-0.7008	1.0245	2.3006	1.6299	2.8677	0.051	-0.3815	-0.5972	0.5491	0.1315	-0.1253	1.0519	0.4106	-0.1274	0.5068	0.1531	-0.0286	0.4078	0.0513	0.5878	50.9133	51.3557	65.9143
11	5.153	2.3727	-3.2838	2.784	0.3497	4.3602	0.0668	-0.7837	0.0703	0.2918	0.2761	-0.1754	0.1646	0.8995	-0.3859	0.2799	0.1253	-0.0988	0.7037	-0.0291	0.5512	57.1374	65.893	75.8686
12	1.69	0.1043	-0.3531	2.2456	0.3381	3.277	-0.0368	-0.1424	-0.0896	0.0476	0.0859	-0.1573	0.0357	0.2403	-0.0194	0.162	0.0515	-0.021	0.2455	-0.0003	0.3423	45.5444	65.1799	64.3955
13	9.1425	-6.2947	0.5561	4.431	0.1551	2.1869	-0.3051	-0.796	-0.1764	0.4138	0.401	-0.0189	0.5707	-0.2498	-0.0917	0.5895	-0.1028	0.0384	0.3929	0.1264	0.4544	16.7191	50.4376	108.0239
14	3.2328	-0.6386	0.0023	3.6094	0.49	2.748	0.1474	-0.2362	-0.0627	-0.143	0.0108	-0.0933	0.094	-0.3819	-0.1331	0.3436	-0.0558	0.0148	0.3572	0.0639	0.3342	10.3179	60.1014	90.5219
15	1.3996	0.4759	0.6899	1.6186	0.4237	2.2542	0.1956	-0.1908	-0.4245	0.2154	0.012	0.0275	0.6036	-0.3867	-0.1598	0.5266	-0.1407	-0.008	0.4009	0.1271	0.4875	8.7708	46.2174	92.7996
16	2.4891	1.0757	-0.3704	6.9663	-1.1461	4.6538	0.1416	0.1267	-0.6676	-0.6682	-0.1457	-0.1741	0.9007	-0.5861	-0.0297	0.6133	-0.1874	-0.0709	0.4288	0.0085	0.6341	3.5807	38.5603	75.0359
17	8.4934	0.5973	-1.6165	1.9145	-0.2329	4.6165	-0.0902	0.6153	0.4086	0.0422	-0.035	0.2534	0.0918	-1.09	0.1085	0.5816	-0.1315	-0.1235	0.7715	0.059	0.7255	-6.1937	48.6071	72.362
18	1.9918	1.1266	-2.0218	8.211	-4.4696	3.5204	0.4102	-0.0136	-0.5931	0.182	-0.1535	0.7472	0.2034	-1.0735	-0.1438	0.5546	-0.2451	-0.011	0.6685	0.0536	0.5315	-2.6481	47.7624	86.9809
19	2.0939	-0.6081	0.9323	1.6209	0.7422	3.3553	-0.0411	-0.0772	-0.1748	-0.2499	0.0332	0.1316	0.0051	-0.4246	-0.0027	0.4461	0.0012	0.0175	0.3354	0.0599	0.4104	5.3291	58.6695	82.0654
20	4.9183	3.3034	4.9736	5.3157	4.9303	8.5095	-0.1975	0.0906	0.7302	0.0001	-0.0276	0.3757	-0.8595	-0.0608	0.3493	0.4919	0.1392	0.0967	0.34	0.0569	0.5916	7.2388	106.8438	67.775
21	1.4723	0.2905	0.5421	1.4455	0.2065	3.9116	0.0684	0.1577	0.2339	-0.1875	-0.0893	0.0848	0.0389	0.0301	0.0146	0.2743	0.0707	-0.0122	0.415	0.0437	0.4416	6.0911	87.06	62.4807
22	1.7522	0.2854	-0.29	2.1757	-0.2191	1.4359	0.2161	-0.1571	0.3539	0.2816	-0.0037	0.4475	-0.2691	-0.2986	-0.1724	0.2646	0.092	0.0633	0.4425	-0.0147	0.5244	-3.9409	90.3658	78.1312
23	2.3327	0.0472	0.6014	2.2568	-0.1424	2.5774	-0.0221	-0.0093	-0.336	0.0193	0.173	0.579	-0.0123	-0.4252	-0.053	0.2425	-0.0474	-0.0198	0.5936	0.0147	0.648	-12.8799	69.9867	73.4046
24	1.3487	-1.1613	-0.5188	2.4246	-0.0345	1.2929	0.1727	0.3004	0.1653	-0.1406	-0.0487	0.7029	0.0572	-0.5207	-0.0951	0.2156	0.065	-0.0033	0.5874	0.0712	0.6301	-10.1978	84.0675	69.26
25	1.5071	0.6028	-0.4029	2.5512	-0.1876	2.0387	-0.0003	0.0537	0.0552	-0.1182	0.0249	0.1468	0.0169	-0.2524	-0.0214	0.199	0.0299	-0.0138	0.3869	0.0077	0.3861	2.0161	77.7075	67.3478
26	7.7061	4.5632	-5.6112	4.0772	-5.2873	7.2947	-0.3398	0.2482	-0.5282	-0.4124	0.0244	-0.304	0.3867	-0.2436	0.2811	0.4381	0.0062	-0.0079	0.2359	-0.0857	0.3353	30.9659	48.2554	39.0007
27	2.9437	0.7936	-0.1204	6.6056	-0.5548	1.833	-0.1509	0.0292	-0.5694	0.4539	0.0745	-0.0272	0.2832	-0.2373	0.0746	0.2956	-0.0241	0.0329	0.267	-0.034	0.4062	18.5441	49.6678	55.4052
28	3.1707	-0.7103	-0.6756	2.2644	0.3998	1.8759	0.0327	0.6532	-0.2046	-0.2666	-0.0704	0.1567	0.0723	-0.4024	0.0208	0.2822	-0.0238	-0.0577	0.4323	-0.0527	0.3066	14.9922	58.1456	40.3267
29	3.0087	-1.0323	-0.2528	2.4039	0.8796	2.8364	-0.184	0.2434	-0.4164	0.1468	-0.0264	0.5288	0.1101	-0.6113	0.1633	0.2611	-0.0434	0.0361	0.4218	-0.0091	0.4253	4.754	58.7901	53.1887
30	5.9026	-5.0738	-0.2027	8.8118	-1.102	1.0744	-0.288	-0.6363	0.188	0.3457	0.3702	-0.036	-0.3279	0.249	-0.1102	0.524	-0.0544	-0.0208	0.4915	-0.14	0.308	56.2141	34.6399	35.1979
31	2.5817	0.1501	0.8006	2.5531	-0.0549	2.8445	0.1367	-0.2964	0.0047	0.0046	0.0158	-0.1681	0.196	0.5417	-0.1559	0.3601	-0.0432	-0.0208	0.5763	-0.0664	0.3183	67.2165	23.7719	21.7051
32	1.5487	-0.1839	-0.8602	1.8826	-0.1404	2.3319	0.0363	-0.1523	0.3404	0.1598	0.1014	-0.0133	-0.502	0.5487	-0.1016	0.4802	-0.154	0.0029	0.4549	-0.1359	0.3991	63.2293	38.6626	25.9768
33	1.494	0.5441	-0.4547	2.4982	0.2174	2.9973	-0.0513	0.0148	0.3047	-0.3016	0.2156	-0.2867	-0.3555	0.8512	-0.1523	0.4439	-0.1877	0.0333	0.6299	-0.1179	0.4202	73.9972	35.4697	10.9118
34	4.8222	3.7419	3.7657	8.4909	6.2081	6.7481	-0.2677	0.1633	0.3918	-0.5972	-0.0859	0.3618	-0.5116	0.3282	0.3821	1.0825	-0.1518	0.0221	0.3881	0.0538	0.4065	53.2741	36.7257	-34.8303
35	2.0695	0.6991	-0.2343	5.3062	-0.1269	0.677	-0.1946	-0.0025	0.4659	0.1299	0.1417	-0.0006	-0.5518	0.479	0.0643	0.8183	-0.2589	0.0072	0.4535	-0.0249	0.476	62.928	35.0621	-16.5754
36	2.1877	-0.9499	0.3436	2.1998	-0.0601	2.3516	-0.1339	0.1715	0.309	-0.2465	0.1875	-0.3873	-0.4644	0.8994	-0.0124	0.6519	-0.3126	0.0948	0.6746	-0.0979	0.4399	73.2272	25.9675	-22.8551
37	5.9414	2.4589	-4.9732	3.0401	-1.325	8.1433	-0.5249	0.0411	-1.1677	0.0012	-0.0821	-0.5944	1.3109	0.2989	0.6673	0.9812	0.3419	-0.0632	0.5404	-0.0645	0.664	71.6765	-21.9791	-3.619
38	2.7338	0.4837	-1.1261	1.9657	0.0291	4.0351	0.0546	0.1466	-0.2081	-0.2002	0.1512	-0.2801	0.2118	0.5316	-0.2049	0.5051	0.1586	-0.0243	0.6137	-0.1465	0.398	73.4763	-2.4684	-7.73
39	3.9405	2.1993	-2.9794	1.5165	-0.596	6.4434	-0.1149	-0.2629	-0.6314	0.1871	0.0159	-0.0453	1.3204	0.6972	0.098	0.9284	0.3302	-0.1474	0.6061	-0.0383	0.5397	71.56	-16.2564	6.1287
40	1.4272	0.287	0.3621	2.6375	0.5898	1.6611	0.0171	-0.2607	-0.1915	0.2681	0.2169	-0.6495	0.3946	0.9471	-0.1861	0.4642	0.2262	-0.0784	0.9536	-0.1206	0.5281	83.9805	2.0658	7.1968
41	2.1827	-1.6073	-2.2316	3.2195	1.4472	2.7834	-0.2269	-0.1891	0.06	0.0123	0.2381	-0.2124	0.2677	0.5757	-0.006	0.4966	0.0649	-0.0363	0.573	-0.0583	0.404	74.0384	3.1586	-1.054
42	7.5057	-3.159	-3.4905	5.6916	2.9988	5.7485	0.0372	-0.0546	-0.0652	-0.1921	0.3445	-0.6385	0.4116	1.0705	-0.3628	0.4469	0.0752	0.0121	0.7119	-0.127	0.4213	78.9094	2.9217	-8.3488
43	3.8763	-5.6087	2.8363	9.2367	-3.7422	4.8461	-0.5337	-0.7405	0.1105	0.6567	0.4032	-0.0303	-0.568	0.218	0.1293	0.4621	-0.0292	0.0227	0.4367	-0.0741	0.3873	48.5019	29.0845	37.581
44	4.107	-1.6533	-0.4914	4.1456	0.5739	2.0504	-0.0154	0.1316	0.5375	-0.722	0.0263	0.164	-0.2923	0.0316	-0.0132	0.4732	-0.0502	-0.1026	0.2538	-0.0208	0.3869	43.2528	23.2343	18.094
45	5.1786	-1.6566	1.3469	4.8938	-0.4143	2.6005	-0.2112	0.1995	0.508	-0.0332	0.0108	-0.0774	-0.5396	0.3766	0.0719	0.4029	-0.0313	-0.0107	0.3295	-0.0816	0.3371	45.113	26.4919	25.8504
46	3.2927	-0.0338	-0.7704	4.2551	0.5496	3.6388	0.0625	-0.4011	0.1606	0.1654	-0.047	0.1402	-0.106	0.0467	-0.0042	0.3212	-0.0126	-0.0014	0.2524	-0.0459	0.2674	40.7622	18.9192	33.2419
47	1.3627	0.5831	0.0142	3.5015	0.8564	3.9165	-0.0297	0.0095	-0.0461	-0.2016	-0.0907	0.3263	0.5417	-0.2419	0.159	0.43	-0.0539	-0.0392	0.2852	-0.0042	0.3307	33.8537	4.4791	23.6395
48	1.4193	0.2805	-0.1127	3.12	0.8855	2.5949	-0.1836	0.1469	0.1987	-0.9154	0.0177	0.4206	-0.1687	-0.1567	0.1145	0.5817	0.0026	-0.1471	0.2662	0.0121	0.3715	37.9666	16.4965	13.1563
49	4.0216	3.1698	1.4658	4.2217	2.4623	2.9496	-0.4216	0.3678	0.5037	-0.8692	0.5752	0.4578	-0.9511	0.3213	-0.0907	1.0654	-0.0187	-0.0753	0.3799	0.103	0.4425	43.8414	37.5446	-32.8673
50	2.7728	-0.0757	0.2619	2.3583	0.3759	4.43	-0.0342	-0.0658	0.2841	-0.2346	0.2241	-0.1699	-0.8732	0.1427	0.0497	0.665	0.0045	-0.0609	0.269	-0.0077	0.4506	40.2825	29.6233	-17.8049
51	2.7893	0.4024	0.1899	2.48	0.4469	3.98	-0.1419	0.0313	-0.0791	-0.4192	0.1414	-0.0874	0.2972	0.088	-0.0028	0.625	-0.032	-0.0222	0.3152	0.0064	0.3148	44.2033	16.2803	-19.169
52	2.5268	1.0288	0.1146	2.7269	0.2145	3.4278	-0.1413	0.1213	0.1009	-0.6696	0.0813	-0.2029	-0.6265	0.1592	-0.0202	0.6539	-0.0194	-0.0797	0.2999	0.0592	0.3649	42.9811	27.9789	-24.9907
53	1.1484	0.5355	-0.6475	1.813	-0.5396	1.7181	0.0933	0.1761	0.5466	-0.4595	0.0665	0.2379	-1.0948	-0.5685	-0.1266	0.9427	0.1472	-0.0928	0.3564	0.0611	0.5413	34.1628	35.0226	-23.2573
54	2.3821	-0.0694	-0.418	2.5611	-0.7043	3.7899	0.1674	-0.1541	0.8234	0.1195	0.0105	0.2732	-1.1479	-0.3737	-0.1838	0.8019	0.1833	0.0025	0.4588	-0.0509	0.6765	27.4404	34.8789	-6.4703
55	3.9902	-0.124	-0.4813	4.9459	-0.7818	6.3857	-0.2095	-0.2958	0.1385	0.3437	0.1746	0.3956	-0.0811	-1.3508	0.1146	0.462	0.0698	-0.0052	0.6774	-0.015	0.6194	21.0712	18.9988	-2.336
56	1.7999	-0.4819	-1.0679	4.1533	-1.3931	5.3906	-0.3681	0.1432	0.2955	-0.3069	0.2641	0.3621	-0.2473	-0.82	0.1038	0.5465	0.0964	-0.0862	0.4032	-0.0109	0.4352	24.9543	25.4552	-15.5583
57	2.3391	0.6325	-0.1376	1.5709	0.4944	3.7294	-0.1119	-0.1062	0.1815	-0.1375	0.0052	0.1603	-0.0823	-0.1502	0.1119	0.5019	0.0296	-0.0458	0.2583	-0.033	0.3839	36.5887	18.8497	-11.2884
58	1.3646	-0.0927	-0.454	0.1082	0.5784	1.9633	-0.1529	-0.0335	-0.3013	0.2987	0.1111	0.0425	0.6735	0.3109	0.0684	0.8104	0.0719	0.0029	0.331	0.011	0.3913	56.0931	-15.1062	-2.4624
59	2.2974	-0.0001	-1.7138	1.4889	-0.5085	3.7959	-0.1671	-0.4142	-0.0751	0.149	0.0365	-0.1042	0.7758	0.6811	0.1574	0.8009	0.1225	0.0199	0.3369	0.009	0.4011	55.4538	-14.6792	-1.1538
60	1.1869	-0.4522	0.1765	2.0245	0.2667	2.2927	-0.0387	0.1101	-0.2693	-0.1259	0.0112	0.2512	0.6782	-0.1909	0.0282	0.6784	-0.1108	0.0077	0.2806	-0.0148	0.3379	40.9538	-8.5926	-9.4265

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 22 through 116 )	A	22 - 116
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 117 through 338 )	A	117 - 338
3	X-RAY DIFFRACTION	3	chain 'B' and (resid 21 through 54 )	B	21 - 54
4	X-RAY DIFFRACTION	4	chain 'B' and (resid 55 through 116 )	B	55 - 116
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 117 through 143 )	B	117 - 143
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 144 through 338 )	B	144 - 338
7	X-RAY DIFFRACTION	7	chain 'C' and (resid 21 through 76 )	C	21 - 76
8	X-RAY DIFFRACTION	8	chain 'C' and (resid 77 through 116 )	C	77 - 116
9	X-RAY DIFFRACTION	9	chain 'C' and (resid 117 through 143 )	C	117 - 143
10	X-RAY DIFFRACTION	10	chain 'C' and (resid 144 through 232 )	C	144 - 232
11	X-RAY DIFFRACTION	11	chain 'C' and (resid 233 through 251 )	C	233 - 251
12	X-RAY DIFFRACTION	12	chain 'C' and (resid 252 through 338 )	C	252 - 338
13	X-RAY DIFFRACTION	13	chain 'D' and (resid 19 through 54 )	D	19 - 54
14	X-RAY DIFFRACTION	14	chain 'D' and (resid 55 through 100 )	D	55 - 100
15	X-RAY DIFFRACTION	15	chain 'D' and (resid 101 through 212 )	D	101 - 212
16	X-RAY DIFFRACTION	16	chain 'D' and (resid 213 through 234 )	D	213 - 234
17	X-RAY DIFFRACTION	17	chain 'D' and (resid 235 through 251 )	D	235 - 251
18	X-RAY DIFFRACTION	18	chain 'D' and (resid 252 through 269 )	D	252 - 269
19	X-RAY DIFFRACTION	19	chain 'D' and (resid 270 through 338 )	D	270 - 338
20	X-RAY DIFFRACTION	20	chain 'E' and (resid 20 through 54 )	E	20 - 54
21	X-RAY DIFFRACTION	21	chain 'E' and (resid 55 through 116 )	E	55 - 116
22	X-RAY DIFFRACTION	22	chain 'E' and (resid 117 through 234 )	E	117 - 234
23	X-RAY DIFFRACTION	23	chain 'E' and (resid 235 through 251 )	E	235 - 251
24	X-RAY DIFFRACTION	24	chain 'E' and (resid 252 through 269 )	E	252 - 269
25	X-RAY DIFFRACTION	25	chain 'E' and (resid 270 through 338 )	E	270 - 338
26	X-RAY DIFFRACTION	26	chain 'F' and (resid 19 through 54 )	F	19 - 54
27	X-RAY DIFFRACTION	27	chain 'F' and (resid 55 through 116 )	F	55 - 116
28	X-RAY DIFFRACTION	28	chain 'F' and (resid 117 through 212 )	F	117 - 212
29	X-RAY DIFFRACTION	29	chain 'F' and (resid 213 through 338 )	F	213 - 338
30	X-RAY DIFFRACTION	30	chain 'G' and (resid 19 through 54 )	G	19 - 54
31	X-RAY DIFFRACTION	31	chain 'G' and (resid 55 through 116 )	G	55 - 116
32	X-RAY DIFFRACTION	32	chain 'G' and (resid 117 through 171 )	G	117 - 171
33	X-RAY DIFFRACTION	33	chain 'G' and (resid 172 through 338 )	G	172 - 338
34	X-RAY DIFFRACTION	34	chain 'H' and (resid 19 through 54 )	H	19 - 54
35	X-RAY DIFFRACTION	35	chain 'H' and (resid 55 through 116 )	H	55 - 116
36	X-RAY DIFFRACTION	36	chain 'H' and (resid 117 through 338 )	H	117 - 338
37	X-RAY DIFFRACTION	37	chain 'I' and (resid 22 through 54 )	I	22 - 54
38	X-RAY DIFFRACTION	38	chain 'I' and (resid 55 through 116 )	I	55 - 116
39	X-RAY DIFFRACTION	39	chain 'I' and (resid 117 through 143 )	I	117 - 143
40	X-RAY DIFFRACTION	40	chain 'I' and (resid 144 through 297 )	I	144 - 297
41	X-RAY DIFFRACTION	41	chain 'I' and (resid 298 through 319 )	I	298 - 319
42	X-RAY DIFFRACTION	42	chain 'I' and (resid 320 through 338 )	I	320 - 338
43	X-RAY DIFFRACTION	43	chain 'J' and (resid 21 through 54 )	J	21 - 54
44	X-RAY DIFFRACTION	44	chain 'J' and (resid 55 through 100 )	J	55 - 100
45	X-RAY DIFFRACTION	45	chain 'J' and (resid 101 through 127 )	J	101 - 127
46	X-RAY DIFFRACTION	46	chain 'J' and (resid 128 through 171 )	J	128 - 171
47	X-RAY DIFFRACTION	47	chain 'J' and (resid 172 through 269 )	J	172 - 269
48	X-RAY DIFFRACTION	48	chain 'J' and (resid 270 through 338 )	J	270 - 338
49	X-RAY DIFFRACTION	49	chain 'K' and (resid 21 through 54 )	K	21 - 54
50	X-RAY DIFFRACTION	50	chain 'K' and (resid 55 through 76 )	K	55 - 76
51	X-RAY DIFFRACTION	51	chain 'K' and (resid 77 through 100 )	K	77 - 100
52	X-RAY DIFFRACTION	52	chain 'K' and (resid 101 through 127 )	K	101 - 127
53	X-RAY DIFFRACTION	53	chain 'K' and (resid 128 through 171 )	K	128 - 171
54	X-RAY DIFFRACTION	54	chain 'K' and (resid 172 through 234 )	K	172 - 234
55	X-RAY DIFFRACTION	55	chain 'K' and (resid 235 through 251 )	K	235 - 251
56	X-RAY DIFFRACTION	56	chain 'K' and (resid 252 through 269 )	K	252 - 269
57	X-RAY DIFFRACTION	57	chain 'K' and (resid 270 through 338 )	K	270 - 338
58	X-RAY DIFFRACTION	58	chain 'L' and (resid 20 through 100 )	L	20 - 100
59	X-RAY DIFFRACTION	59	chain 'L' and (resid 101 through 127 )	L	101 - 127
60	X-RAY DIFFRACTION	60	chain 'L' and (resid 128 through 338 )	L	128 - 338

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