PDB-5zb8: Crystal structure of the novel lesion-specific endonuclease PfuEn...

ID or keywords:

Entry

Database: PDB / ID: 5zb8

Title

Crystal structure of the novel lesion-specific endonuclease PfuEndoQ from Pyrococcus furiosus

Components

PfuEndoQ

Keywords

DNA BINDING PROTEIN / Endonuclease / DNA repair

Function / homology

Conserved hypothetical protein CHP00375 / Polymerase/histidinol phosphatase-like / Rubredoxin, iron-binding site / Rubredoxin signature. / catalytic activity / metal ion binding / SAMARIUM (III) ION / Phosphotransferase / Uncharacterized protein

Function and homology information

Biological species

Pyrococcus furiosus (archaea)

Method

X-RAY DIFFRACTION /

SAD / Resolution: 2.5 Å

Authors

Miyazono, K. / Ito, T. / Tanokura, M.

Funding support

Japan, 1items

Citation

Journal: Nucleic Acids Res. / Year: 2018
Title: Crystal structure of the novel lesion-specific endonuclease PfuEndoQ from Pyrococcus furiosus.
Authors: Miyazono, K.I. / Ishino, S. / Makita, N. / Ito, T. / Ishino, Y. / Tanokura, M.

History

Deposition	Feb 10, 2018	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Apr 4, 2018	Provider: repository / Type: Initial release
Revision 1.1	May 2, 2018	Group: Data collection / Database references / Category: citation / citation_author Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _citation_author.name
Revision 1.2	Jun 6, 2018	Group: Data collection / Database references / Category: citation Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.3	Mar 27, 2024	Group: Data collection / Database references / Derived calculations Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_struct_conn_angle / struct_conn Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _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_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_id / _pdbx_struct_conn_angle.ptnr2_symmetry / _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_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_symmetry

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

Summary document	5zb8_validation.pdf.gz	464.4 KB	Display	wwPDB validaton report
Full document	5zb8_full_validation.pdf.gz	479.2 KB	Display
Data in XML	5zb8_validation.xml.gz	68.9 KB	Display
Data in CIF	5zb8_validation.cif.gz	95 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/zb/5zb8 ftp://data.pdbj.org/pub/pdb/validation_reports/zb/5zb8	HTTPS FTP

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Related structure data

Similar structure data	2w0a-d 4lv7-2 5j1w-1 4lv7-1 3udt-2 2w09-d 3hwt-d 4j71-1 6kp0-1 3udz-3 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

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#260 - Aug 2021 Ribonuclease P similarity (1) #35 - Nov 2002 Ferritin and Transferrin similarity (1) #142 - Oct 2011 PDB Pioneers similarity (2)

Deposited unit

A: PfuEndoQ

B: PfuEndoQ

C: PfuEndoQ

D: PfuEndoQ

E: PfuEndoQ

hetero molecules

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

1

A: PfuEndoQ

hetero molecules

defined by author
Evidence: gel filtration
45.2 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: PfuEndoQ

hetero molecules

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

3

C: PfuEndoQ

hetero molecules

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

4

D: PfuEndoQ

hetero molecules

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

5

E: PfuEndoQ

hetero molecules

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

Unit cell

Length a, b, c (Å)	257.354, 82.245, 116.581
Angle α, β, γ (deg.)	90.000, 109.130, 90.000
Int Tables number	5
Space group name H-M	C121

Components on special symmetry positions

ID	Model	Components
1	1	D-618- HOH

#1: Protein	PfuEndoQ Mass: 44972.871 Da / Num. of mol.: 5 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pyrococcus furiosus (archaea) / Production host: Escherichia coli (E. coli) / References: UniProt: I6V2I0, UniProt: Q8U0N5*PLUS
#2: Chemical	ChemComp-ZN / ZINC ION Mass: 65.409 Da / Num. of mol.: 15 / Source method: obtained synthetically / Formula: Zn
#3: Chemical	ChemComp-SM / SAMARIUM (III) ION Mass: 150.360 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: Sm
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 415 / 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: 2.59 Å³/Da / Density % sol: 52.54 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 7.1 Details: 0.1 M Tris HCl pH 7.1, 13% PEG 3000, 0.2 M calcium acetate

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Data collection

Diffraction

Mean temperature: 93 K

Diffraction source

Source:

ROTATING ANODE / Type: RIGAKU FR-E SUPERBRIGHT / Wavelength: 1.5418 Å

Detector

Type: RIGAKU RAXIS VII / Detector: IMAGE PLATE / Date: Sep 4, 2012

Radiation

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

Radiation wavelength

Wavelength: 1.5418 Å / Relative weight: 1

Reflection

Resolution: 2.5→42.9 Å / Num. obs: 78365 / % possible obs: 98.1 % / Redundancy: 13.7 % / B_iso Wilson estimate: 38.36 Å² / CC_1/2: 0.999 / R_merge(I) obs: 0.081 / R_pim(I) all: 0.022 / R_rim(I) all: 0.084 / Net I/σ(I): 32.7

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Num. unique obs	CC_1/2	R_pim(I) all	R_rim(I) all	% possible all
2.5-2.55	9.4	0.529	3663	0.905	0.178	0.559	80.6
12.75-42.9	11.8	0.038	637	0.999	0.012	0.04	97.2

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Processing

Software

Name	Version	Classification
PHENIX	1.11.1_2575	refinement
Aimless	0.5.29	data scaling
PDB_EXTRACT	3.24	data extraction
XDS		data reduction
SHARP		phasing

Refinement

Method to determine structure:

SAD / Resolution: 2.5→41.122 Å / SU ML: 0.29 / Cross valid method: THROUGHOUT / σ(F): 1.91 / Phase error: 21.57

	R_factor	Num. reflection	% reflection
R_free	0.2087	7548	4.93 %
R_work	0.1762	-	-
obs	0.1779	78354	98.08 %

Solvent computation

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

Displacement parameters

B_iso max: 176.95 Å² / B_iso mean: 44.7923 Å² / B_iso min: 15.47 Å²

Refinement step

Cycle: final / Resolution: 2.5→41.122 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	15786	0	22	415	16223
B_iso mean	-	-	55.85	39.7	-
Num. residues	-	-	-	-	1996

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.002	16138
X-RAY DIFFRACTION	f_angle_d	0.514	21791
X-RAY DIFFRACTION	f_chiral_restr	0.043	2427
X-RAY DIFFRACTION	f_plane_restr	0.004	2784
X-RAY DIFFRACTION	f_dihedral_angle_d	10.988	9851

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / R_factor R_free error: 0 / Total num. of bins used: 30

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
2.5-2.5284	0.3288	202	0.2551	3818	4020	78
2.5284-2.5582	0.2944	206	0.241	4197	4403	84
2.5582-2.5894	0.3027	208	0.2425	4411	4619	89
2.5894-2.6221	0.2636	248	0.2331	4600	4848	94
2.6221-2.6566	0.316	253	0.2344	4966	5219	98
2.6566-2.693	0.2963	249	0.2283	4917	5166	100
2.693-2.7315	0.2894	235	0.2255	4950	5185	100
2.7315-2.7722	0.2282	261	0.229	4906	5167	100
2.7722-2.8156	0.306	266	0.2112	4973	5239	100
2.8156-2.8617	0.2687	268	0.2101	4935	5203	100
2.8617-2.911	0.2666	241	0.2085	5006	5247	100
2.911-2.964	0.2623	241	0.2152	4953	5194	100
2.964-3.0209	0.2548	222	0.2114	4968	5190	100
3.0209-3.0826	0.2508	288	0.2109	4903	5191	100
3.0826-3.1496	0.2453	259	0.2011	4997	5256	100
3.1496-3.2228	0.2398	232	0.2036	4925	5157	100
3.2228-3.3034	0.2346	258	0.1878	4996	5254	100
3.3034-3.3927	0.206	274	0.1861	4906	5180	100
3.3927-3.4924	0.2255	278	0.1835	4914	5192	100
3.4924-3.6051	0.2127	243	0.1769	4941	5184	100
3.6051-3.7339	0.223	235	0.177	5059	5294	100
3.7339-3.8833	0.1876	279	0.1663	4881	5160	100
3.8833-4.0599	0.1899	215	0.1588	4958	5173	100
4.0599-4.2737	0.1663	263	0.1463	4956	5219	100
4.2737-4.5411	0.1703	256	0.1318	4937	5193	100
4.5411-4.8912	0.1573	292	0.136	4930	5222	100
4.8912-5.3825	0.1599	295	0.1446	4917	5212	100
5.3825-6.1591	0.1883	265	0.1517	4973	5238	100
6.1591-7.7513	0.1711	288	0.1585	4907	5195	100
7.7513-41.128	0.1526	228	0.1482	4954	5182	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	1.5032	-0.2901	-0.5152	2.8785	-0.4898	3.0275	-0.1498	0.0658	-0.1654	-0.765	-0.0087	-0.3617	0.5944	0.2254	0.1214	0.4975	0.0482	0.0997	0.1914	0.0239	0.2859	58.192	-6.286	-4.2614
2	4.3354	0.9267	-0.9309	4.0619	-0.0622	4.0738	-0.0342	0.5608	0.0521	-0.9535	0.0776	-0.3497	-0.0585	0.1077	0.0046	0.4736	-0.0149	0.1094	0.2289	0.0458	0.2739	60.4533	7.5504	-13.5129
3	1.9336	0.6381	-1.4074	2.6642	0.4197	3.6674	-0.0075	-0.1089	0.167	-0.0781	0.0923	0.0197	-0.1096	0.113	-0.0837	0.205	0.022	-0.0144	0.1599	0.024	0.2494	52.8505	8.4772	4.1277
4	2.8062	1.742	1.6775	3.1027	1.6282	4.0135	-0.0849	0.1577	-0.0233	-0.2664	0.0656	0.1678	0.2068	-0.1056	0.0062	0.2921	0.0014	-0.021	0.1909	0.035	0.2659	45.4422	-1.1599	4.8005
5	5.3067	-1.0612	0.9809	5.4462	-2.1083	5.6838	-0.7258	-0.3563	1.1871	0.1743	-0.1176	0.3069	-0.794	0.0544	0.7178	0.3703	0.0039	-0.1736	0.3148	-0.0744	0.4579	65.8253	20.2835	23.9463
6	1.3097	-0.9028	-0.1759	5.7126	-1.2456	2.284	-0.0948	-0.2047	0.0044	0.1931	-0.0075	-0.2017	0.2059	0.1529	0.0908	0.2239	0.0482	0.0117	0.2426	-0.03	0.1978	53.2525	-3.4179	17.4785
7	2.5478	1.6119	-0.3774	3.0311	0.1907	1.8298	-0.2427	-0.2837	0.0523	-0.0689	0.0592	0.249	0.2385	-0.1107	0.1883	0.3112	0.0893	-0.0151	0.2778	0.027	0.2488	50.1738	-8.6798	22.8085
8	6.3677	3.282	-1.8447	3.1763	-0.7836	1.9704	0.1287	-0.9372	0.2182	-0.0239	-0.4331	0.1995	0.2479	0.1948	0.2833	0.4416	0.0592	-0.0182	0.4684	0.0052	0.3198	46.6139	-6.2461	34.526
9	1.9234	0.5975	0.1357	2.0757	-0.1138	1.7817	-0.0257	0.1792	-0.3865	-0.144	0.0798	-0.0629	0.2601	-0.0429	-0.0544	0.284	0.0323	-0.0125	0.2577	-0.0832	0.319	20.8677	5.0484	-18.8316
10	3.9143	-2.6998	-0.7416	6.2441	0.8009	2.4557	-0.0994	0.3219	-0.1769	-0.0192	0.0619	-0.4567	0.2352	0.2392	0.0335	0.2815	0.0186	-0.0167	0.3561	-0.1023	0.2677	30.6292	11.2535	-24.8637
11	2.7762	-1.4217	1.531	2.4574	-1.0151	0.839	-0.5419	-1.2876	1.7124	0.205	0.3434	-0.4813	-0.3459	-0.6024	0.2029	0.3818	0.1734	-0.1168	0.4636	-0.1597	0.5855	13.4473	34.2515	-11.1128
12	2.615	0.5878	1.8432	2.5157	0.1068	6.2615	-0.1866	0.8746	0.0662	-0.8021	0.2583	0.2578	0.0903	0.091	-0.0932	0.4893	-0.0875	-0.0793	0.5104	-0.0028	0.3119	22.3856	19.2738	-38.4307
13	2.5114	-0.9613	-2.6439	1.7001	0.6168	3.206	0.0654	0.6703	0.2467	-0.562	0.0005	0.0621	-0.218	-0.7155	0.0623	0.4491	-0.0113	-0.1352	0.5412	0.0447	0.3596	21.1964	29.1576	-34.9225
14	3.8591	0.7663	-0.9337	1.312	1.6049	3.1363	0.3896	0.6043	0.7846	-0.302	0.0488	0.0488	-0.8872	0.0925	-0.3711	0.6272	-0.012	-0.0923	0.7855	0.195	0.4499	24.4678	35.2972	-44.3081
15	2.1468	-0.0227	0.3635	2.6546	-1.3131	2.5224	-0.0186	-0.5812	-0.2209	0.3039	0.116	-0.4051	0.0643	0.3087	-0.1051	0.2626	0.0218	-0.0731	0.4947	0.0241	0.2712	36.847	-1.1953	56.617
16	3.041	1.8986	1.9766	5.5854	4.8255	8.4192	0.0655	-0.55	-0.223	0.5328	0.0996	-0.2243	0.3301	0.1462	-0.1482	0.2776	0.029	-0.0538	0.4157	0.1371	0.2642	28.8715	-5.6255	56.84
17	2.0285	-0.9485	0.9858	3.2331	1.2034	3.4361	0.1868	-0.4781	-0.7096	0.4839	0.1035	-0.0681	0.9102	0.1323	-0.2729	0.4915	0.0456	-0.1085	0.3903	0.1623	0.5156	26.994	-18.1665	54.2918
18	1.5255	0.5682	-0.8087	4.0963	-1.9684	6.7511	0.0212	-0.2158	-0.2752	-0.1734	0.0164	0.2146	0.3271	-0.2634	-0.058	0.1818	-0.0065	-0.0295	0.3177	0.0439	0.3097	20.8916	-8.0882	42.2747
19	4.5112	0.4719	1.405	4.6138	0.7379	5.2288	-0.0896	-0.1526	0.1347	-0.0314	0.1237	0.0767	-0.1899	0.0251	-0.0175	0.2004	0.0132	0.0005	0.1854	0.0249	0.1727	24.8255	3.5394	44.59
20	2.8332	-0.4092	-2.0489	2.3675	0.0917	8.093	-0.027	-0.3796	-0.0177	0.3049	0.2182	0.2194	-0.1729	-0.528	-0.164	0.1729	0.02	-0.0116	0.2732	0.0249	0.2247	21.3576	5.2976	49.534
21	7.2572	1.2114	-5.2578	2.4541	-0.1647	9.2299	-0.1227	0.2671	-0.0544	-0.1258	0.0379	0.1695	0.3157	-0.4688	0.0782	0.2197	-0.0275	-0.0198	0.2179	0.0362	0.1912	27.4375	-3.741	19.4897
22	2.5506	1.5158	3.0846	5.8435	2.828	5.1409	-0.1087	-0.1662	-0.1511	0.0081	0.1548	0.3685	-0.1399	-0.6168	0.0139	0.212	0.0335	0.0048	0.3145	0.1281	0.2059	16.5626	7.8992	39.6233
23	5.6739	0.2728	-1.15	1.6272	-1.7186	2.1014	-0.0035	-0.2793	0.3824	0.3251	0.006	-0.4352	-0.4332	0.3623	-0.0023	0.4012	-0.1385	-0.0838	0.4145	-0.1307	0.4043	39.9182	20.656	45.7757
24	0.8031	-1.7845	-1.1297	5.0539	4.4905	5.6296	-0.1508	0.1564	0.1687	-0.2932	0.1214	0.0287	-0.3858	0.3858	-0.0519	0.2328	-0.1245	-0.0119	0.36	0.0123	0.325	31.6531	17.2462	33.5704
25	6.7921	1.5404	1.4809	2.0863	0.7659	7.5776	0.1787	-0.1815	1.157	-0.1086	-0.2155	0.231	-0.989	-0.6456	-0.0131	0.3703	0.044	0.0211	0.368	0.0003	0.4737	31.1195	28.0368	31.1364
26	4.4444	0.0023	0.0013	2.7255	-1.1076	4.0076	0.0892	0.2326	0.1992	0.0719	-0.2036	0.6233	-0.0834	-0.5135	0.1509	0.312	0.0737	-0.0506	0.3495	-0.1464	0.4645	30.0677	58.9989	-39.5231
27	4.6376	-0.6559	-0.7056	4.1041	0.7041	4.7737	0.052	0.237	0.3086	-0.3851	-0.4644	0.6152	-0.2163	-0.3519	0.365	0.3275	0.0303	-0.1272	0.3874	-0.0771	0.3117	36.085	59.428	-46.5498
28	3.1549	0.5282	0.492	5.3525	0.664	2.5294	-0.1822	0.9487	0.0593	-1.1235	-0.178	0.7311	-0.4145	-0.451	0.2875	0.5656	0.0321	-0.1893	0.5934	-0.0949	0.3832	34.79	54.0197	-58.0492
29	3.1615	-1.041	1.3765	4.5925	-0.1227	3.5204	0.059	0.5311	-0.1401	-0.453	-0.2458	-0.1639	0.2402	0.0097	0.1929	0.3125	0.0454	0.0301	0.3185	-0.0538	0.2255	46.5828	46.5202	-48.6228
30	5.294	-1.3576	1.3855	4.5339	0.5827	3.6167	-0.1244	-0.0014	0.0435	-0.0084	-0.0909	0.1811	0.247	0.0052	0.2476	0.3085	0.0011	-0.0072	0.2691	-0.0164	0.1823	45.7274	51.1522	-37.005
31	1.7637	1.3757	0.6317	5.9992	-0.7169	2.4699	-0.2125	0.1186	0.2055	-0.2483	-0.1278	0.0668	-0.2037	0.1843	0.2963	0.2815	0.0171	-0.015	0.377	-0.0509	0.2752	48.0515	57.0836	-37.6697
32	3.1316	3.6945	-2.6349	5.3694	-4.0378	3.0552	-0.1498	0.0496	-0.5249	-0.3	-0.1787	-0.6496	0.3368	0.0682	0.3146	0.3928	0.0669	0.1064	0.3428	-0.0491	0.3953	46.2711	25.12	-37.5242
33	2.4152	-0.9905	0.5135	3.3024	1.3532	3.9421	-0.2355	-0.0246	0.108	-0.012	0.0461	-0.486	0.0575	0.4985	0.2472	0.2967	0.0557	0.0199	0.3715	0.1042	0.2369	55.9368	49.1237	-35.0291
34	4.5939	-0.8776	-1.19	4.6695	-0.2725	5.5267	-0.2677	-0.5276	0.1289	0.7055	0.0493	0.6017	-0.4891	-0.8341	0.1835	0.4788	0.078	0.075	0.572	-0.1118	0.3415	36.959	54.2964	-16.2727
35	3.3402	2.6608	3.2106	2.7288	3.3689	4.4965	-0.17	-0.059	-0.0486	0.2801	0.0998	-0.3062	-0.05	-0.2204	0.1615	0.453	-0.0183	0.0412	0.3996	-0.0219	0.3866	46.5203	43.3921	-20.4149
36	7.4919	-1.8537	1.7329	3.4465	-0.3372	2.1554	-0.1187	-0.4499	-0.0896	0.5527	0.0205	-0.8406	-0.0466	-0.0194	0.1198	0.6042	-0.1153	-0.0122	0.5154	0.0408	0.4812	52.037	44.1075	-10.6044
37	2.3075	-0.8319	-0.1553	2.5289	-1.0304	2.3403	-0.1489	-0.135	0.3952	0.161	0.3298	0.3068	-0.3111	-0.7602	-0.1317	0.3144	0.0973	-0.023	0.4947	0.0703	0.4088	-18.3554	47.9008	-21.9449
38	1.9334	0.9719	1.7277	2.7915	1.8011	2.7028	-0.1068	0.1323	-0.0542	-0.4699	0.3101	-0.279	-0.3177	-0.0099	-0.1687	0.3758	-0.0783	0.043	0.2501	0.0597	0.285	-8.3703	30.8687	-32.8249
39	1.8239	0.9324	0.9814	2.7798	0.8528	0.4935	-0.2975	0.2755	0.1242	-0.4599	0.2654	-0.1235	-0.2269	0.1281	0.0059	0.316	-0.0464	0.0514	0.2954	0.0253	0.304	-5.9627	32.9571	-36.3365
40	7.5709	0.5694	-0.4666	3.9745	4.4291	5.2967	-0.0179	-0.0787	-0.0907	-0.1368	0.258	0.4137	-0.0441	-0.5633	-0.2506	0.4248	-0.0567	-0.0073	0.4693	0.1831	0.3547	-18.1639	20.7351	-9.2228
41	2.6845	-0.2658	0.1962	2.2902	-0.5521	6.1598	-0.1602	-0.1366	-0.1278	-0.0078	0.2063	-0.1628	0.1747	-0.0552	-0.0286	0.332	-0.0474	0.0111	0.2842	0.0728	0.2162	-6.8319	23.5351	-13.5969
42	2.8347	-2.4032	-1.4708	3.8056	-1.57	6.1891	0.0039	0.1112	-0.4201	-0.3062	0.0075	-0.3271	0.4631	0.5007	-0.1423	0.4689	-0.0644	-0.0128	0.3209	0.0046	0.506	-0.1881	13.4288	-15.6642

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 1 through 91 )	A	1 - 91
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 92 through 130 )	A	92 - 130
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 131 through 205 )	A	131 - 205
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 206 through 246 )	A	206 - 246
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 247 through 278 )	A	247 - 278
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 279 through 332 )	A	279 - 332
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 333 through 378 )	A	333 - 378
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 379 through 400 )	A	379 - 400
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 1 through 210 )	B	1 - 210
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 211 through 246 )	B	211 - 246
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 247 through 286 )	B	247 - 286
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 287 through 352 )	B	287 - 352
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 353 through 378 )	B	353 - 378
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 379 through 398 )	B	379 - 398
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 1 through 55 )	C	1 - 55
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 56 through 91 )	C	56 - 91
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 92 through 130 )	C	92 - 130
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 131 through 173 )	C	131 - 173
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 174 through 210 )	C	174 - 210
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 211 through 246 )	C	211 - 246
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 247 through 286 )	C	247 - 286
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 287 through 304 )	C	287 - 304
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 305 through 352 )	C	305 - 352
24	X-RAY DIFFRACTION	24	chain 'C' and (resid 353 through 378 )	C	353 - 378
25	X-RAY DIFFRACTION	25	chain 'C' and (resid 379 through 399 )	C	379 - 399
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 1 through 55 )	D	1 - 55
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 56 through 91 )	D	56 - 91
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 92 through 130 )	D	92 - 130
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 131 through 173 )	D	131 - 173
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 174 through 210 )	D	174 - 210
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 211 through 246 )	D	211 - 246
32	X-RAY DIFFRACTION	32	chain 'D' and (resid 247 through 286 )	D	247 - 286
33	X-RAY DIFFRACTION	33	chain 'D' and (resid 287 through 304 )	D	287 - 304
34	X-RAY DIFFRACTION	34	chain 'D' and (resid 305 through 352 )	D	305 - 352
35	X-RAY DIFFRACTION	35	chain 'D' and (resid 353 through 378 )	D	353 - 378
36	X-RAY DIFFRACTION	36	chain 'D' and (resid 379 through 399 )	D	379 - 399
37	X-RAY DIFFRACTION	37	chain 'E' and (resid 1 through 224 )	E	1 - 224
38	X-RAY DIFFRACTION	38	chain 'E' and (resid 225 through 263 )	E	225 - 263
39	X-RAY DIFFRACTION	39	chain 'E' and (resid 264 through 304 )	E	264 - 304
40	X-RAY DIFFRACTION	40	chain 'E' and (resid 305 through 332 )	E	305 - 332
41	X-RAY DIFFRACTION	41	chain 'E' and (resid 333 through 378 )	E	333 - 378
42	X-RAY DIFFRACTION	42	chain 'E' and (resid 379 through 400 )	E	379 - 400

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