PDB-4z9n: ABC transporter / periplasmic binding protein from Brucella ovis ...

ID or keywords:

Entry

Database: PDB / ID: 4z9n

Title

ABC transporter / periplasmic binding protein from Brucella ovis with glutathione bound

Components

Amino acid ABC transporter, periplasmic amino acid-binding protein

Keywords

TRANSPORT PROTEIN / ABC transporter / glutathione / GSH / Structural Genomics / Seattle Structural Genomics Center for Infectious Disease / SSGCID

Function / homology

Function and homology information

amino acid transport
Similarity search - Function

Biological species

Brucella ovis (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 1.745 Å

Authors

Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Citation

Journal: To Be Published
Title: ABC transporter / periplasmic binding protein from Brucella ovis with glutathione bound
Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID)

History

Deposition	Apr 10, 2015	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jun 17, 2015	Provider: repository / Type: Initial release
Revision 1.1	Apr 2, 2025	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description / Source and taxonomy / Structure summary Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / entity_src_gen / pdbx_entry_details / pdbx_initial_refinement_model / pdbx_modification_feature / pdbx_prerelease_seq / pdbx_struct_oper_list / struct_conn Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _entity_src_gen.pdbx_alt_source_flag / _pdbx_struct_oper_list.symmetry_operation / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4z9n.cif.gz	780 KB	Display	PDBx/mmCIF format
PDB format	pdb4z9n.ent.gz	644.1 KB	Display	PDB format
PDBx/mmJSON format	4z9n.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	4z9n_validation.pdf.gz	1.7 MB	Display	wwPDB validaton report
Full document	4z9n_full_validation.pdf.gz	1.7 MB	Display
Data in XML	4z9n_validation.xml.gz	103.5 KB	Display
Data in CIF	4z9n_validation.cif.gz	141.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/z9/4z9n ftp://data.pdbj.org/pub/pdb/validation_reports/z9/4z9n	HTTPS FTP

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Related structure data

Similar structure data	5fh4-d 4czu-2 2rk8-1 3rjl-5 5kfa-d 4gnm-d 2w04-1 2qey-d 3moe-d 4yw8-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) 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-BrovA.17761.a

Similar structure data

Other databases

TargetTrack: SSGCID-BrovA.17761.a

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#212 - Aug 2017 Glutathione Transferases similarity (1) #255 - Mar 2021 Cisplatin and DNA similarity (1)

Deposited unit

A: Amino acid ABC transporter, periplasmic amino acid-binding protein

B: Amino acid ABC transporter, periplasmic amino acid-binding protein

C: Amino acid ABC transporter, periplasmic amino acid-binding protein

D: Amino acid ABC transporter, periplasmic amino acid-binding protein

E: Amino acid ABC transporter, periplasmic amino acid-binding protein

F: Amino acid ABC transporter, periplasmic amino acid-binding protein

hetero molecules

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

1

A: Amino acid ABC transporter, periplasmic amino acid-binding protein

D: Amino acid ABC transporter, periplasmic amino acid-binding protein

hetero molecules

defined by author&software
72.8 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: Amino acid ABC transporter, periplasmic amino acid-binding protein

E: Amino acid ABC transporter, periplasmic amino acid-binding protein

hetero molecules

defined by author&software
72.8 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

C: Amino acid ABC transporter, periplasmic amino acid-binding protein

F: Amino acid ABC transporter, periplasmic amino acid-binding protein

hetero molecules

defined by author&software
72.7 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	93.990, 76.930, 131.470
Angle α, β, γ (deg.)	90.00, 94.07, 90.00
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	Amino acid ABC transporter, periplasmic amino acid-binding protein Mass: 35964.316 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Brucella ovis (strain ATCC 25840 / 63/290 / NCTC 10512) (bacteria) Strain: ATCC 25840 / 63/290 / NCTC 10512 / Gene: BOV_0736 / Production host: Escherichia coli (E. coli) / References: UniProt: A5VPS6, UniProt: A0A0M3KL33*PLUS
#2: Chemical	ChemComp-GSH / GLUTATHIONE Mass: 307.323 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₁₀H₁₇N₃O₆S
#3: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Na
#4: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C₂H₆O₂
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1899 / Source method: isolated from a natural source / Formula: H₂O
Has protein modification	Y

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Experiment

Experiment	Method: X-RAY DIFFRACTION

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Sample preparation

Crystal	Density Matthews: 2.2 Å³/Da / Density % sol: 44.02 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, sitting drop Details: MCSG1b2: 25% PEG3350, 0.2M NaCl, 0.1M BisTris pH 5.5

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 21-ID-G / Wavelength: 0.97856 Å
Detector	Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Feb 25, 2015
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97856 Å / Relative weight: 1
Reflection	Resolution: 1.745→50 Å / Num. obs: 187580 / % possible obs: 99.4 % / Redundancy: 3.8 % / R_sym value: 0.07 / Net I/σ(I): 14.4
Reflection shell	Resolution: 1.745→1.8 Å / Redundancy: 3.8 % / R_merge(I) obs: 0.534 / Mean I/σ(I) obs: 2.8 / % possible all: 99.8

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Processing

Software

Name	Version	Classification
PHENIX	(dev_2006: ???)	refinement
XDS		data reduction
XSCALE		data scaling
PHENIX		phasing

Refinement

Method to determine structure:

SAD
Starting model: phased from iodided soak

Resolution: 1.745→31.655 Å / SU ML: 0.16 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 17.99 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.1828	3931	2.1 %	Random
R_work	0.1517	-	-	-
obs	0.1524	187476	98.65 %	-

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 1.745→31.655 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	14578	0	158	1899	16635

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.008	15224
X-RAY DIFFRACTION	f_angle_d	1.128	20712
X-RAY DIFFRACTION	f_dihedral_angle_d	12.558	5402
X-RAY DIFFRACTION	f_chiral_restr	0.055	2301
X-RAY DIFFRACTION	f_plane_restr	0.005	2753

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 (%)
1.745-1.7662	0.2608	96	0.2323	5291	X-RAY DIFFRACTION	80
1.7662-1.7886	0.2339	135	0.217	6633	X-RAY DIFFRACTION	100
1.7886-1.8121	0.2688	145	0.2107	6582	X-RAY DIFFRACTION	100
1.8121-1.837	0.2302	161	0.202	6606	X-RAY DIFFRACTION	100
1.837-1.8632	0.2436	132	0.187	6546	X-RAY DIFFRACTION	100
1.8632-1.891	0.2192	138	0.1831	6621	X-RAY DIFFRACTION	100
1.891-1.9205	0.205	153	0.183	6602	X-RAY DIFFRACTION	100
1.9205-1.952	0.2042	144	0.1811	6594	X-RAY DIFFRACTION	100
1.952-1.9857	0.1953	119	0.1734	6582	X-RAY DIFFRACTION	100
1.9857-2.0218	0.1787	154	0.1615	6624	X-RAY DIFFRACTION	100
2.0218-2.0607	0.1971	167	0.1564	6554	X-RAY DIFFRACTION	99
2.0607-2.1027	0.1725	126	0.1524	6539	X-RAY DIFFRACTION	100
2.1027-2.1484	0.1656	125	0.1512	6664	X-RAY DIFFRACTION	99
2.1484-2.1984	0.202	150	0.1551	6558	X-RAY DIFFRACTION	99
2.1984-2.2534	0.1724	148	0.1533	6573	X-RAY DIFFRACTION	99
2.2534-2.3143	0.2101	139	0.1514	6564	X-RAY DIFFRACTION	99
2.3143-2.3823	0.1648	144	0.1463	6604	X-RAY DIFFRACTION	99
2.3823-2.4592	0.2005	142	0.1485	6509	X-RAY DIFFRACTION	99
2.4592-2.5471	0.1754	128	0.1491	6595	X-RAY DIFFRACTION	99
2.5471-2.649	0.1751	150	0.1568	6528	X-RAY DIFFRACTION	99
2.649-2.7695	0.2029	142	0.1522	6588	X-RAY DIFFRACTION	99
2.7695-2.9154	0.203	136	0.1533	6534	X-RAY DIFFRACTION	99
2.9154-3.0979	0.1762	143	0.1548	6620	X-RAY DIFFRACTION	99
3.0979-3.3369	0.1694	145	0.1515	6640	X-RAY DIFFRACTION	100
3.3369-3.6722	0.155	147	0.1393	6653	X-RAY DIFFRACTION	100
3.6722-4.2026	0.1544	137	0.1221	6676	X-RAY DIFFRACTION	100
4.2026-5.2908	0.1682	144	0.118	6728	X-RAY DIFFRACTION	100
5.2908-31.6597	0.1647	141	0.1467	6737	X-RAY DIFFRACTION	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	0.7726	-1.1803	-0.1638	3.6502	-0.1877	2.4876	-0.3008	-0.1554	-0.1993	0.5874	0.111	0.2329	0.3885	-0.0402	0.1789	0.2467	-0.0215	0.0648	0.1667	0.0251	0.1231	49.0572	7.3631	56.3527
2	0.6365	-0.4123	-0.1927	2.1575	-0.0837	1.0218	-0.1312	-0.1598	0.0452	0.3509	0.0834	-0.0463	0.0362	-0.0344	0.0417	0.121	0.02	-0.0249	0.1562	-0.0137	0.0946	49.8832	23.6125	56.1459
3	3.0061	1.0935	-1.6521	4.632	-2.5547	5.2553	-0.0424	-0.2627	0.377	0.5926	0.0421	-0.1331	-0.4639	0.0627	0.0022	0.1785	0.0506	-0.0871	0.1866	-0.0761	0.207	48.8353	39.1066	58.2568
4	3.291	-0.442	-0.1059	4.4259	1.3978	1.246	-0.1004	-0.2012	0.0459	0.4901	0.0262	0.1632	0.1099	-0.1909	0.062	0.1623	0.065	0.0145	0.1992	0.0127	0.1055	37.9061	30.0157	57.9884
5	1.1494	-0.9212	-0.2748	2.2116	0.4518	1.3589	-0.0804	0.0311	-0.0844	0.1215	-0.0168	0.0637	0.1435	-0.1282	0.099	0.0487	-0.033	0.0205	0.1229	0.0178	0.0775	49.5489	14.6893	45.0805
6	5.537	-0.6141	2.5911	3.8102	-0.0862	6.2343	0.1097	0.5873	-0.5621	-0.128	-0.0981	-0.0834	0.8538	0.269	-0.0165	0.1982	0.0007	0.0575	0.145	-0.0519	0.2053	58.496	-3.0365	36.0694
7	1.3282	-0.8002	-0.5634	2.4887	0.3157	1.5222	0.0155	0.117	-0.0643	-0.0332	-0.1187	0.2004	0.1105	-0.3042	0.0957	0.0723	-0.0262	-0.0207	0.1528	-0.0155	0.1018	46.788	12.3291	40.1104
8	2.4656	0.0767	0.6659	1.9368	1.2941	1.6756	0.0665	-0.1971	0.0438	0.1027	0.1881	-0.287	-0.1449	0.4557	-0.1995	0.1086	-0.0585	-0.0103	0.2114	-0.0676	0.1827	129.0624	61.2018	39.0715
9	0.8956	-0.1647	-0.4126	1.4421	0.6475	1.758	0.0264	0.0915	-0.0225	-0.1973	0.0075	-0.0817	-0.0883	0.0978	-0.0257	0.0687	0.0015	0.0002	0.0991	-0.0138	0.1059	118.3876	50.4931	24.2285
10	1.662	-0.3437	0.2864	2.1588	-0.3958	1.5346	0.0268	-0.313	0.3291	0.3792	0.1027	-0.0411	-0.4767	0.1634	-0.1107	0.2549	-0.0674	0.0461	0.1837	-0.0798	0.163	115.1707	72.353	48.5857
11	1.4164	0.0141	-0.3355	1.6144	0.8676	1.8773	0.1678	-0.0133	0.1912	-0.054	-0.0271	-0.0666	-0.416	0.0437	-0.1091	0.1685	-0.0188	0.0093	0.0701	-0.0126	0.1099	113.0809	69.0172	35.3231
12	2.2024	0.5224	0.5013	1.8196	-0.7521	1.1327	0.0993	-0.3988	-0.3601	0.2707	0.1049	0.1472	0.3417	-0.4156	-0.187	0.2599	-0.044	-0.0016	0.2835	0.1246	0.203	65.1342	48.9075	19.9473
13	1.2568	0.2467	0.1219	1.2112	-0.3065	1.412	0.0818	-0.1739	-0.1831	0.1409	0.019	-0.0411	0.238	-0.1059	-0.087	0.1837	0.0248	-0.0359	0.1455	0.0516	0.1134	77.2763	54.0194	16.1252
14	1.1124	0.2766	0.4193	0.6689	0.2002	1.5244	-0.0087	-0.1195	-0.0615	0.0335	0.0347	-0.0658	-0.0427	0.0438	-0.0308	0.1417	0.0359	-0.0215	0.1201	0.0304	0.1224	86.5415	63.051	20.2469
15	2.085	-0.9753	0.0203	2.9512	0.2989	1.8408	0.0694	-0.1731	-0.3351	0.0145	-0.0033	0.473	0.2236	-0.562	-0.0503	0.1765	-0.0761	-0.0141	0.3158	0.0659	0.1839	52.9298	54.6183	4.6981
16	1.5495	0.3137	0.5943	1.1903	0.2634	1.9252	-0.048	-0.2529	-0.0263	0.0924	0.0526	0.1162	0.0088	-0.3606	0.0015	0.0971	0.0287	-0.0016	0.1918	0.0403	0.1091	62.1736	63.0954	10.5678
17	2.1057	-0.0415	0.9363	1.1488	1.037	1.557	-0.0005	-0.0108	0.121	-0.0412	0.2159	-0.5543	-0.1906	0.3079	-0.192	0.1057	-0.0357	0.05	0.196	-0.0062	0.5027	81.147	24.291	37.3243
18	1.441	0.8125	-0.1183	0.6114	-0.0441	1.0163	-0.0088	-0.1097	0.0638	0.0053	0.0339	-0.5254	0.105	0.2583	-0.0336	0.0901	0.0211	0.0047	0.1602	0.0106	0.3339	76.9383	13.9825	37.6369
19	1.3088	-0.0819	-0.5418	1.9202	0.7515	1.2883	0.1041	0.3947	0.0935	-0.5639	-0.078	-0.1745	-0.1748	-0.1619	-0.0117	0.2394	0.0693	0.0486	0.2277	0.0595	0.1607	65.7028	11.2559	15.7308
20	5.2868	-0.0921	1.7917	3.0797	1.769	4.5906	0.1224	0.1862	-0.1832	-0.2049	-0.1492	-0.1599	0.1161	-0.24	0.0051	0.163	0.0433	0.0359	0.1416	0.0313	0.1158	66.2886	1.9655	19.2395
21	1.0499	-0.0847	-0.4455	1.3356	0.4634	1.5873	0.0653	0.2799	0.2576	-0.4147	-0.0855	-0.4096	-0.087	0.0382	-0.0112	0.2065	0.0599	0.1212	0.2026	0.1123	0.2766	70.6127	15.1276	20.0372
22	2.3809	-0.6082	0.4617	1.7242	-0.4525	2.7924	0.0487	-0.1155	0.3958	0.0676	0.0346	-0.3084	-0.3531	0.1168	-0.095	0.1196	-0.02	0.025	0.1333	-0.0137	0.3025	67.8531	33.2442	42.7586
23	5.2076	-3.2641	1.8151	4.0158	-2.916	3.1413	-0.1986	-0.4568	0.7975	0.5284	0.221	-0.7155	-0.5477	0.042	-0.0158	0.2399	-0.0237	-0.0255	0.1865	-0.1013	0.3713	67.2774	37.6588	52.1085
24	1.2407	0.0184	-0.2769	1.2877	0.8504	2.1828	0.0967	0.1103	0.3426	-0.2378	-0.0025	-0.3106	-0.3198	-0.0128	-0.0861	0.1511	0.0273	0.0404	0.1048	0.0559	0.2817	65.306	31.0034	34.0158
25	1.1449	0.1006	-0.6461	2.0383	0.0109	2.0315	-0.0106	-0.2117	-0.0551	0.3666	-0.0128	0.1755	0.0806	-0.0188	0.0267	0.1578	0.0091	0.0403	0.1305	0.0008	0.0962	97.3723	52.263	56.0595
26	1.506	-0.1657	-0.8025	1.6028	0.5433	1.6883	0.2022	-0.1308	0.3414	0.2361	-0.0797	0.2067	-0.4127	-0.1774	-0.1005	0.2778	0.0331	0.0944	0.159	-0.0302	0.1982	91.39	69.3297	56.9917
27	2.808	-0.2248	0.3525	1.4126	0.1673	3.0424	-0.083	0.2127	-0.4523	0.042	0.0254	0.0875	0.4751	0.0442	0.0402	0.1416	-0.0089	0.0465	0.0878	-0.0201	0.1689	102.2908	39.2258	37.28
28	1.6189	-0.0853	-1.1773	1.8882	0.5215	2.2176	-0.0183	0.098	-0.0702	0.0362	-0.0299	0.2504	0.0315	-0.2596	0.0439	0.0572	-0.0028	-0.0206	0.1042	-0.0136	0.1052	94.1488	50.1043	39.7511
29	1.4916	-1.8289	-0.0728	2.4128	-0.2641	0.8906	0.0577	-0.0515	-0.3217	-0.084	-0.0365	-0.0207	0.4461	0.3055	-0.0199	0.4109	0.0723	-0.0156	0.1809	-0.0143	0.2564	79.3078	41.3218	-15.6098
30	1.028	-0.1955	0.2779	1.6599	-0.3034	0.3089	0.1312	0.2434	-0.1753	-0.354	-0.0824	-0.0247	0.5042	0.1355	-0.0249	0.3225	0.0361	-0.0056	0.1869	-0.026	0.1116	74.5061	51.3071	-21.1851
31	0.9591	-0.5097	-0.4693	1.7296	-0.4663	0.7657	-0.0267	0.0089	-0.2631	-0.0818	0.0321	0.0748	0.5255	-0.0768	0.1046	0.2832	-0.0174	-0.0451	0.1176	0.0016	0.1505	65.8302	47.9092	-9.988
32	1.4473	0.0272	0.8369	1.2465	0.0458	1.7538	-0.1011	0.0551	0.1669	-0.0855	0.0493	0.2565	-0.1729	-0.2889	0.0904	0.148	0.0061	-0.0307	0.1791	0.0141	0.1515	54.7392	67.5094	-19.0747
33	1.0602	-0.6428	-1.0918	2.2715	0.3861	4.0804	0.0244	0.0995	-0.2257	-0.0225	-0.0843	0.4897	0.0718	-0.6698	0.0751	0.1451	-0.0646	-0.0379	0.2776	0.0079	0.2382	47.8204	60.7909	-15.7309
34	2.448	-0.6074	1.0988	1.2469	-0.0579	3.2394	-0.0285	0.3002	-0.0812	-0.2219	0.0588	0.1748	0.257	-0.1923	-0.0177	0.1487	-0.0315	-0.0444	0.1452	0.0014	0.1299	57.7462	64.1743	-26.1232
35	1.1725	-0.4837	0.2198	1.027	0.36	1.3167	-0.0707	0.0954	0.0447	0.0002	-0.0166	-0.0529	-0.0124	-0.0843	0.0366	0.1238	-0.0377	-0.0255	0.1279	0.0008	0.0961	63.0451	61.813	-15.8737
36	0.9916	0.5076	0.4413	3.0895	-0.1458	2.2791	0.0969	0.0867	-0.119	-0.0442	-0.0999	-0.2526	0.1966	0.3395	-0.0728	0.1391	0.0693	-0.0138	0.1865	0.0128	0.1074	85.9558	57.9295	-6.8831
37	0.6182	0.8789	-0.0704	7.2566	0.0468	0.7807	0.0774	0.0397	-0.2989	0.4475	0.0099	-0.7126	0.3171	0.4768	-0.1469	0.2254	0.0937	-0.0221	0.3131	0.0254	0.2417	93.9514	53.8569	-0.8776
38	0.8696	-0.3478	0.413	1.1569	-0.2849	1.5084	-0.0174	-0.0058	-0.0355	-0.0328	-0.0122	-0.1254	0.1513	0.1884	0.0203	0.0979	0.0151	-0.006	0.1189	0.0061	0.0929	79.6186	64.2067	-10.0135

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 2 through 50 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 51 through 134 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 135 through 158 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 159 through 187 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 188 through 246 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 247 through 273 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 274 through 321 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid -2 through 50 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 51 through 214 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 215 through 273 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 274 through 321 )
12	X-RAY DIFFRACTION	12	chain 'C' and (resid 2 through 50 )
13	X-RAY DIFFRACTION	13	chain 'C' and (resid 51 through 119 )
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 120 through 214 )
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 215 through 273 )
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 274 through 321 )
17	X-RAY DIFFRACTION	17	chain 'D' and (resid 1 through 50 )
18	X-RAY DIFFRACTION	18	chain 'D' and (resid 51 through 98 )
19	X-RAY DIFFRACTION	19	chain 'D' and (resid 99 through 134 )
20	X-RAY DIFFRACTION	20	chain 'D' and (resid 135 through 158 )
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 159 through 214 )
22	X-RAY DIFFRACTION	22	chain 'D' and (resid 215 through 246 )
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 247 through 273 )
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 274 through 321 )
25	X-RAY DIFFRACTION	25	chain 'E' and (resid 2 through 119 )
26	X-RAY DIFFRACTION	26	chain 'E' and (resid 120 through 214 )
27	X-RAY DIFFRACTION	27	chain 'E' and (resid 215 through 273 )
28	X-RAY DIFFRACTION	28	chain 'E' and (resid 274 through 321 )
29	X-RAY DIFFRACTION	29	chain 'F' and (resid 1 through 19 )
30	X-RAY DIFFRACTION	30	chain 'F' and (resid 20 through 71 )
31	X-RAY DIFFRACTION	31	chain 'F' and (resid 72 through 98 )
32	X-RAY DIFFRACTION	32	chain 'F' and (resid 99 through 134 )
33	X-RAY DIFFRACTION	33	chain 'F' and (resid 135 through 158 )
34	X-RAY DIFFRACTION	34	chain 'F' and (resid 159 through 187 )
35	X-RAY DIFFRACTION	35	chain 'F' and (resid 188 through 214 )
36	X-RAY DIFFRACTION	36	chain 'F' and (resid 215 through 246 )
37	X-RAY DIFFRACTION	37	chain 'F' and (resid 247 through 273 )
38	X-RAY DIFFRACTION	38	chain 'F' and (resid 274 through 321 )

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