PDB-3tdp: Crystal structure of HSC at pH 4.5

ID or keywords:

Entry

Database: PDB / ID: 3tdp

Title

Crystal structure of HSC at pH 4.5

Components

formate/nitrite transporter

Keywords

MEMBRANE PROTEIN

Function / homology

Function and homology information

transmembrane transporter activity / membrane / metal ion binding
Similarity search - Function

Biological species

Clostridium difficile (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.99 Å

Authors

Czyzewski, B.K. / Wang, D.-N.

Citation

Journal: Nature / Year: 2012
Title: Identification and characterization of a bacterial hydrosulphide ion channel.
Authors: Czyzewski, B.K. / Wang, D.N.

History

Deposition	Aug 11, 2011	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Mar 7, 2012	Provider: repository / Type: Initial release
Revision 1.1	Oct 10, 2012	Group: Database references
Revision 1.2	Jan 24, 2018	Group: Structure summary / Category: audit_author / Item: _audit_author.name
Revision 1.3	Jul 29, 2020	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Structure summary Category: chem_comp / entity ...chem_comp / entity / pdbx_chem_comp_identifier / pdbx_entity_nonpoly / pdbx_struct_conn_angle / struct_conn / struct_ref_seq_dif / struct_site / struct_site_gen Item: _chem_comp.mon_nstd_flag / _chem_comp.name ..._chem_comp.mon_nstd_flag / _chem_comp.name / _chem_comp.type / _entity.pdbx_description / _pdbx_entity_nonpoly.name / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _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_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_ref_seq_dif.details Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 1.4	Feb 28, 2024	Group: Data collection / Database references / Structure summary Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	3tdp.cif.gz	480 KB	Display	PDBx/mmCIF format
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Validation report

Summary document	3tdp_validation.pdf.gz	1.2 MB	Display	wwPDB validaton report
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Related structure data

Related structure data	3tdoC 3tdrC 3tdsC 3tdxC 3te0C 3te1C 3te2C C: citing same article (ref.)
Similar structure data	3te0-d 3te2-d 3tdr-2 3tdr-1 3tds-d 3te1-d 4fc4-2 3tdx-d 3tdo-d 3kcu-d 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
Related items in Molecule of the Month	#173 - May 2014 Aquaporin similarity (1)

Deposited unit

A: formate/nitrite transporter

B: formate/nitrite transporter

C: formate/nitrite transporter

D: formate/nitrite transporter

E: formate/nitrite transporter

hetero molecules

137 kDa, 5 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author&software

2

A: formate/nitrite transporter

B: formate/nitrite transporter

C: formate/nitrite transporter

D: formate/nitrite transporter

E: formate/nitrite transporter

hetero molecules

A: formate/nitrite transporter

B: formate/nitrite transporter

C: formate/nitrite transporter

D: formate/nitrite transporter

E: formate/nitrite transporter

hetero molecules

defined by software
274 kDa, 10 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	120.515, 162.903, 194.104
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	20
Space group name H-M	C222₁

#1: Protein

formate/nitrite transporter

Mass: 27119.152 Da / Num. of mol.: 5
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Clostridium difficile (bacteria) / Strain: 630 / Gene: CD630_22300, Putative formate/nitrite transporter / Plasmid: pBad / Production host:

Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q186B7

#2: Chemical

ChemComp-ZN / ZINC ION

Mass: 65.409 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: Zn

#3: Sugar

ChemComp-BOG / octyl beta-D-glucopyranoside / Beta-Octylglucoside / octyl beta-D-glucoside / octyl D-glucoside / octyl glucoside

Type: D-saccharide / Mass: 292.369 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Formula: C₁₄H₂₈O₆ / Comment: detergent*YM

#4: Water

ChemComp-HOH / water

Mass: 18.015 Da / Num. of mol.: 36 / 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: 3.51 Å³/Da / Density % sol: 64.99 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion / pH: 4.5 Details: PEG 6000, pH 4.5, VAPOR DIFFUSION, temperature 298K

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

NSLS

/ Beamline: X25 / Wavelength: 0.975 Å

Detector

Type: ADSC QUANTUM 315 / Detector: CCD

Radiation

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

Radiation wavelength

Wavelength: 0.975 Å / Relative weight: 1

Reflection

Resolution: 2.99→50 Å / Num. obs: 38717 / % possible obs: 99.9 % / Redundancy: 7.1 % / R_merge(I) obs: 0.138 / Net I/σ(I): 5.7

Reflection shell

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Diffraction-ID	% possible all
3-3.05	6.9	0.707	1	98.5
3.05-3.11	7	0.676	1	99.6
3.11-3.17	7.2	0.623	1	100
3.17-3.23	7.2	0.539	1	100
3.23-3.3	7.2	0.516	1	100
3.3-3.38	7.2	0.42	1	100
3.38-3.46	7.2	0.339	1	100
3.46-3.56	7.2	0.304	1	100
3.56-3.66	7.2	0.24	1	100
3.66-3.78	7.2	0.192	1	100
3.78-3.91	7.2	0.16	1	100
3.91-4.07	7.1	0.13	1	100
4.07-4.26	7.1	0.105	1	100
4.26-4.48	7.1	0.095	1	100
4.48-4.76	7.1	0.091	1	100
4.76-5.13	7	0.097	1	99.9
5.13-5.64	7	0.106	1	100
5.64-6.46	6.9	0.097	1	99.9
6.46-8.13	6.6	0.057	1	99.9
8.13-50	6.7	0.038	1	99.5

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Processing

Software

Name	Version	Classification
DENZO		data reduction
SCALEPACK		data scaling
PHENIX	1.7.1_743	refinement
PDB_EXTRACT	3.1	data extraction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.99→48.44 Å / Occupancy max: 1 / Occupancy min: 1 / SU ML: 0.8 / σ(F): 1.34 / Phase error: 24.43 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.24	1942	5.02 %
R_work	0.186	-	-
obs	0.189	38654	99.6 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / B_sol: 38.86 Å² / k_sol: 0.31 e/Å³

Displacement parameters

B_iso mean: 59.96 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-5.7223 Å²	0 Å²	-0 Å²
2-	-	26.4041 Å²	0 Å²
3-	-	-	-20.6818 Å²

Refinement step

Cycle: LAST / Resolution: 2.99→48.44 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	9457	0	65	36	9558

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.003	9738
X-RAY DIFFRACTION	f_angle_d	0.847	13186
X-RAY DIFFRACTION	f_dihedral_angle_d	13.442	3479
X-RAY DIFFRACTION	f_chiral_restr	0.161	1671
X-RAY DIFFRACTION	f_plane_restr	0.002	1567

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 (%)
2.9932-3.0681	0.362	144	0.2722	2483	X-RAY DIFFRACTION	96
3.0681-3.151	0.2825	130	0.2277	2592	X-RAY DIFFRACTION	100
3.151-3.2437	0.2446	121	0.2121	2600	X-RAY DIFFRACTION	100
3.2437-3.3484	0.3455	149	0.2218	2618	X-RAY DIFFRACTION	100
3.3484-3.468	0.3011	143	0.211	2606	X-RAY DIFFRACTION	100
3.468-3.6068	0.2748	130	0.1928	2618	X-RAY DIFFRACTION	100
3.6068-3.7709	0.2661	148	0.1728	2591	X-RAY DIFFRACTION	100
3.7709-3.9697	0.2221	121	0.1633	2626	X-RAY DIFFRACTION	100
3.9697-4.2182	0.2084	127	0.1478	2656	X-RAY DIFFRACTION	100
4.2182-4.5437	0.1588	141	0.1321	2612	X-RAY DIFFRACTION	100
4.5437-5.0005	0.1796	126	0.1342	2649	X-RAY DIFFRACTION	100
5.0005-5.7231	0.2898	164	0.1956	2634	X-RAY DIFFRACTION	100
5.7231-7.2067	0.2158	154	0.1993	2662	X-RAY DIFFRACTION	100
7.2067-48.4485	0.2247	144	0.2238	2765	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	0.7969	-0.0519	0.8054	2.8213	-0.3907	2.4021	-0.1346	0.2236	-0.0859	-0.0336	-0.0618	-0.1601	-0.3432	-0.1834	0.0377	0.3058	0.1695	-0.1203	0.3295	0.0112	0.2767	-17.5921	48.3791	-40.2958
2	1.0491	0.0702	-0.2515	0.8155	0.1205	1.0978	0.1792	-0.0227	0.0048	0.105	-0.0257	0.0986	-0.0104	0.1103	-0.0481	0.1963	0.0313	0.0635	0.4385	0.0707	0.1767	-15.605	36.8707	-18.0009
3	0.8329	0.0614	-0.6224	0.2446	0.2336	0.7875	0.0841	0.0464	0.0939	-0.0291	0.0412	0.2321	-0.2853	-0.5116	-0.1729	0.1568	0.1131	0.0229	0.5725	-0.0589	0.2419	-24.7564	47.0584	-27.0337
4	0.7144	-0.691	0.2392	1.3894	0.853	1.7184	-0.2466	-0.388	-0.0646	0.3125	-0.0983	-0.0456	0.2673	-0.1336	0.1338	0.4354	0.1316	0.1265	0.8486	-0.0368	0.3299	-19.768	39.8066	-3.154
5	1.0135	-0.3095	0.1958	0.8283	0.0984	0.8668	-0.0052	-0.069	-0.1946	0.0361	0.0051	0.1846	-0.1682	-0.442	-0.0932	0.2431	0.1239	-0.0206	0.3697	0.0228	0.1626	-12.3791	45.6772	-20.3924
6	0.4417	-0.0804	0.2387	0.428	0.3648	1.9402	-0.1867	0.0651	-0.0932	0.0809	0.0148	0.2021	-0.1596	-0.561	-0.1357	0.644	-0.0154	0.1047	0.9588	-0.1184	0.2698	-27.9953	39.7909	-1.4561
7	1.1729	-0.3038	-0.3331	1.197	0.2355	0.4968	-0.0356	-0.2069	0.2113	0.1058	-0.0905	0.0333	0.018	-0.0321	-0.2455	0.2596	0.1917	-0.0016	0.2705	-0.1601	0.2888	-22.7797	53.2503	-15.924
8	1.2573	-0.0029	0.449	1.0938	0.3981	0.3062	0.1041	0.3386	-0.0876	-0.3267	-0.234	0.2199	-0.2713	-0.1348	0.0234	0.5178	0.2588	0.0132	0.3854	-0.0383	0.3652	-10.1966	59.2459	-35.6089
9	3.2835	0.1437	-0.456	1.8884	-0.0587	2.9103	0.1899	0.1699	-0.096	-0.1514	0.0829	-0.0103	-0.2332	-0.0121	-0.0483	0.2169	-0.1621	-0.0793	0.2826	0.1066	0.1718	10.7156	54.8421	-43.1045
10	1.5421	-0.2252	-0.0607	1.5391	0.3315	1.6048	-0.1453	-0.2258	0.0759	-0.0677	0.0758	-0.1162	0.0004	0.02	0.0412	0.1851	0.0288	0.0108	0.2415	-0.0733	0.1766	2.4903	50.6631	-19.7537
11	0.6689	-0.2576	0.3237	1.3452	0.4528	0.4475	-0.069	0.0099	0.072	-0.1583	-0.0208	0.2192	-0.3069	0.4757	-0.0318	0.3788	-0.1426	-0.0284	0.5704	-0.0651	0.3628	16.1623	57.9726	-37.7573
12	0.4319	0.049	-0.0323	0.9072	0.1177	0.1722	0.0208	-0.171	0.2031	0.1745	-0.0029	0.0814	-0.2247	0.037	-0.0902	0.524	-0.0492	-0.1236	0.1898	-0.2243	0.2979	4.2124	63.6973	-25.9337
13	1.1816	-0.3801	-0.0119	1.2848	-1.154	1.5851	-0.1014	-0.2088	0.138	0.3599	-0.2143	0.2045	-0.4108	0.2026	-0.5051	0.4841	0.0189	-0.0071	0.4629	-0.2136	0.231	4.977	56.9437	-5.5419
14	1.2297	-0.0133	-0.4224	0.9948	-0.313	1.3583	-0.0274	-0.1817	0.1669	0.0015	-0.0339	0.0898	-0.2244	0.0598	0.08	0.2194	-0.0089	-0.0084	0.38	-0.0189	0.2058	11.7153	50.0748	-22.7636
15	0.222	0.1555	0.3263	0.1083	0.2285	0.4796	0.0974	-0.3126	0.2417	0.1776	0.0603	0.138	-0.5943	-0.2738	-0.0052	1.1001	0.3083	0.1549	1.105	-0.2798	0.5068	2.7757	65.0278	-4.3107
16	1.3685	-0.3636	-0.2113	0.8093	-0.6862	0.8077	-0.1684	-0.2637	0.1545	0.2086	-0.0504	-0.1635	-0.2642	-0.103	0.1855	0.3295	-0.1675	-0.1089	0.3668	-0.104	0.299	15.935	62.6543	-19.6967
17	0.929	-0.8474	-0.965	2.54	0.7315	1.3306	-0.0315	0.3443	0.37	-0.3127	-0.0788	0.13	-0.2193	0.0832	0.0031	0.2166	-0.1688	-0.0287	0.5413	0.0706	0.3837	24.5069	50.6377	-39.4208
18	0.4489	0.3731	-0.1368	1.7415	0.5935	3.6123	-0.0308	0.0628	-0.1	0.02	-0.1677	0.1511	0.1005	0.1318	0.0695	0.3989	0.0278	0.1048	0.1027	-0.0199	0.0449	6.4182	6.1146	-42.7252
19	0.2489	-0.1229	0.0424	0.1404	-0.0619	0.0301	-0.0306	-0.1056	-0.045	-0.0448	-0.0471	-0.0783	0.2386	0.1306	-0.1843	0.3501	0.5474	-0.0841	0.096	0.2579	0.1002	14.3306	9.7456	-25.486
20	0.6204	-0.2843	-0.4948	0.6938	-0.315	1.2668	-0.066	-0.2882	-0.2044	0.443	-0.0344	-0.3476	0.447	0.3659	0.042	0.8507	0.1553	-0.1723	0.7808	0.2715	0.5136	18.7395	9.8812	-6.9626
21	1.0837	0.2559	-0.165	0.0618	-0.0399	0.0266	-0.006	0.1866	-0.2587	-0.1955	0.2802	-0.0246	0.5164	-0.1065	-0.1791	0.6613	0.0273	-0.0119	0.245	0.032	0.2949	2.5166	12.0903	-24.4718
22	2.9881	1.8009	-0.7863	2.3396	0.2142	0.5854	0.4256	-1.0254	-0.5682	0.6452	0.0498	-0.302	0.6977	0.6299	-0.2451	0.8115	0.4185	-0.0291	0.8967	0.14	0.5068	19.2486	5.7752	-13.5385
23	0.3789	-0.1245	0.0965	0.7493	-0.1402	0.1758	-0.0081	0.0061	-0.1108	-0.1913	-0.0298	0.1244	0.2028	0.0341	-0.1703	0.9046	0.0383	0.0499	0.1409	0.0779	0.4221	4.8221	-0.4729	-24.7119
24	3.8869	-0.6155	0.9692	0.783	1.4944	4.2023	0.7214	0.4277	-0.0126	-0.9026	-0.2945	0.1396	-0.1733	0.1826	-0.4699	1.309	0.1124	0.1231	0.4285	-0.1129	0.5467	-10.6114	0.622	-45.3484
25	3.4419	-0.4196	-0.3079	0.5679	-0.1836	2.3114	-0.0292	-0.0569	0.1653	-0.1652	-0.1738	0.3174	0.5691	-0.4583	0.1556	0.4395	-0.1951	0.0547	0.6377	-0.0924	0.286	-21.3701	17.9729	-39.9377
26	0.7896	-0.1593	-0.3396	1.4158	-0.1315	0.1747	-0.1586	0.0052	-0.0301	0.1658	0.16	0.0611	0.562	-0.1306	0.0114	0.5338	-0.0329	0.0353	0.3111	0.1628	0.3275	-8.2627	15.2069	-18.7503
27	0.5159	0.0622	-0.9318	1.3543	-0.1772	1.6864	-0.1813	0.2083	-0.294	0.0932	-0.1945	0.2563	0.6101	-0.6598	0.1717	0.5188	-0.2089	0.0643	0.5894	0.0537	0.4304	-26.5157	18.3607	-33.597
28	1.0004	0.3536	-0.1977	0.9277	-0.2863	0.5228	-0.0308	0.0222	-0.1802	0.0744	-0.0965	-0.086	0.3967	-0.0734	-0.5171	0.5735	-0.2413	0.1696	0.2724	0.1114	0.3101	-18.3189	6.0795	-23.8329
29	1.1173	0.2661	0.4577	0.965	0.6086	0.814	-0.2675	-0.5027	-0.3138	0.1566	0.0072	-0.1139	0.6633	0.0052	0.0447	0.8666	-0.0335	0.0063	0.6002	0.274	0.4308	-11.4224	10.865	-3.9765
30	0.9575	-0.143	0.4026	1.3891	0.2298	0.2379	-0.136	-0.2397	-0.2103	-0.0447	0.3355	0.1777	0.3944	-0.5361	-0.168	0.3926	-0.0788	0.0601	0.4556	0.0876	0.3752	-21.6707	23.3242	-20.4936
31	1.5844	-0.4891	1.0909	2.0613	-0.0807	1.1445	0.3058	0.1183	-0.0845	-0.2367	0.0043	-0.0936	0.3214	-0.2573	-0.1548	0.2682	0.0408	-0.0177	0.3038	-0.0825	0.2519	-9.3814	27.0962	-24.8918
32	1.2332	-0.4712	0.1966	0.8831	0.0382	0.0508	-0.1815	-0.3132	-0.5998	0.5088	0.3443	0.0399	0.6607	-0.4547	-0.234	0.7911	-0.1618	0.0507	0.4465	0.1608	0.4465	-16.0312	10.9251	-13.2423
33	0.3226	0.1137	-0.0701	0.1004	0.1005	0.2751	0.0015	-0.1204	-0.1192	-0.0967	-0.2291	-0.378	0.1928	-0.0752	0.254	1.6543	-0.0819	-0.1043	1.071	0.4841	0.7862	-14.693	3.2483	-2.6046
34	1.8885	-0.2148	-0.4772	1.0051	0.167	1.1421	-0.171	0.1402	-0.2025	0.3271	-0.1201	0.12	0.3679	-0.1503	0.0367	0.4898	-0.2443	0.1142	0.5762	0.0957	0.3943	-26.2423	14.1025	-16.1203
35	1.273	0.3636	-0.3313	0.9333	0.1937	0.2331	-0.0015	-0.1203	0.0093	0.0595	-0.1724	0.1355	0.0386	0.0282	0.0812	0.2053	-0.1165	-0.0153	0.5984	0.0761	0.295	-29.0233	29.5763	-34.8121
36	0.7149	0.1084	-0.128	0.2184	0.0846	0.8659	-0.0724	0.0792	-0.0337	-0.0724	-0.0206	-0.1277	0.0687	0.3883	-0.0422	-0.0157	0.1574	0.0156	0.4282	-0.0016	0.0846	23.0451	34.6541	-27.815
37	0.6972	0.072	0.2859	0.31	-0.1918	0.275	-0.0116	0.1048	0.0162	-0.0339	-0.0519	-0.2448	0.043	0.4553	-0.1952	-0.0585	0.0943	-0.1019	0.5791	-0.0702	0.2197	30.0425	34.6374	-32.46
38	0.4158	0.1437	0.0536	0.3476	-0.8062	2.2764	-0.1869	-0.2049	0.1749	0.2124	-0.1724	-0.2052	-0.0711	0.6736	0.101	0.3467	0.1006	-0.1169	0.9159	-0.1105	0.3534	28.86	38.4755	-7.9774
39	0.7567	-0.0632	-0.0777	0.9627	0.0154	0.1674	0.0122	0.1915	0.0929	0.0925	0.0199	-0.1551	0.1439	0.8374	0.013	0.2705	0.1756	-0.0116	0.5997	0.0702	0.2411	23.2967	28.3447	-23.9427
40	1.1748	-0.8076	1.4785	1.0331	-0.5252	2.3654	-0.073	-0.0562	-0.0018	0.0941	0.2436	-0.1927	0.1931	0.5044	-0.1983	0.4827	-0.0348	-0.1408	1.3162	-0.1119	0.4259	35.9828	42.0288	-6.8626
41	2.6025	-0.1207	-1.0743	1.0174	0.0275	0.7394	-0.0667	-0.6691	-0.198	0.2063	-0.1031	-0.1081	0.0839	0.358	0.1712	0.1207	0.1756	0.019	0.6267	0.0967	0.3711	36.7465	28.4507	-21.7279
42	2.531	-1.4068	-0.1124	2.3202	-0.1654	0.301	0.0307	-0.0624	-0.1038	-0.0325	0.0802	0.2248	0.0408	0.0545	0.2988	0.5331	0.4023	-0.0436	0.5388	-0.0053	0.5399	26.8099	15.0058	-39.6432

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resseq 0:23)
2	X-RAY DIFFRACTION	2	chain 'A' and (resseq 24:82)
3	X-RAY DIFFRACTION	3	chain 'A' and (resseq 83:129)
4	X-RAY DIFFRACTION	4	chain 'A' and (resseq 130:152)
5	X-RAY DIFFRACTION	5	chain 'A' and (resseq 153:214)
6	X-RAY DIFFRACTION	6	chain 'A' and (resseq 215:222)
7	X-RAY DIFFRACTION	7	chain 'A' and (resseq 223:242)
8	X-RAY DIFFRACTION	8	chain 'A' and (resseq 243:256)
9	X-RAY DIFFRACTION	9	chain 'B' and (resseq 0:23)
10	X-RAY DIFFRACTION	10	chain 'B' and (resseq 24:82)
11	X-RAY DIFFRACTION	11	chain 'B' and (resseq 83:100)
12	X-RAY DIFFRACTION	12	chain 'B' and (resseq 101:129)
13	X-RAY DIFFRACTION	13	chain 'B' and (resseq 130:152)
14	X-RAY DIFFRACTION	14	chain 'B' and (resseq 153:214)
15	X-RAY DIFFRACTION	15	chain 'B' and (resseq 215:222)
16	X-RAY DIFFRACTION	16	chain 'B' and (resseq 223:242)
17	X-RAY DIFFRACTION	17	chain 'B' and (resseq 243:256)
18	X-RAY DIFFRACTION	18	chain 'C' and (resseq 0:23)
19	X-RAY DIFFRACTION	19	chain 'C' and (resseq 24:129)
20	X-RAY DIFFRACTION	20	chain 'C' and (resseq 130:152)
21	X-RAY DIFFRACTION	21	chain 'C' and (resseq 153:197)
22	X-RAY DIFFRACTION	22	chain 'C' and (resseq 198:222)
23	X-RAY DIFFRACTION	23	chain 'C' and (resseq 223:253)
24	X-RAY DIFFRACTION	24	chain 'C' and (resseq 254:265)
25	X-RAY DIFFRACTION	25	chain 'D' and (resseq 0:23)
26	X-RAY DIFFRACTION	26	chain 'D' and (resseq 24:82)
27	X-RAY DIFFRACTION	27	chain 'D' and (resseq 83:100)
28	X-RAY DIFFRACTION	28	chain 'D' and (resseq 101:129)
29	X-RAY DIFFRACTION	29	chain 'D' and (resseq 130:152)
30	X-RAY DIFFRACTION	30	chain 'D' and (resseq 153:175)
31	X-RAY DIFFRACTION	31	chain 'D' and (resseq 176:197)
32	X-RAY DIFFRACTION	32	chain 'D' and (resseq 198:214)
33	X-RAY DIFFRACTION	33	chain 'D' and (resseq 215:222)
34	X-RAY DIFFRACTION	34	chain 'D' and (resseq 223:243)
35	X-RAY DIFFRACTION	35	chain 'D' and (resseq 244:256)
36	X-RAY DIFFRACTION	36	chain 'E' and (resseq 0:69)
37	X-RAY DIFFRACTION	37	chain 'E' and (resseq 70:129)
38	X-RAY DIFFRACTION	38	chain 'E' and (resseq 130:152)
39	X-RAY DIFFRACTION	39	chain 'E' and (resseq 153:214)
40	X-RAY DIFFRACTION	40	chain 'E' and (resseq 215:222)
41	X-RAY DIFFRACTION	41	chain 'E' and (resseq 223:242)
42	X-RAY DIFFRACTION	42	chain 'E' and (resseq 243:256)

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