PDB-6b6m: Cyanase from Serratia proteamaculans

ID or keywords:

Entry

Database: PDB / ID: 6b6m

Title

Cyanase from Serratia proteamaculans

Components

Cyanate hydratase

Keywords

LYASE / Cyanase

Function / homology

Function and homology information

: / cyanase / cyanate hydratase activity / DNA binding
Similarity search - Function

Biological species

Serratia proteamaculans (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.91 Å

Authors

Xu, Y.

Citation

Journal: Acta Crystallogr D Struct Biol / Year: 2018
Title: SIMBAD: a sequence-independent molecular-replacement pipeline.
Authors: Simpkin, A.J. / Simkovic, F. / Thomas, J.M.H. / Savko, M. / Lebedev, A. / Uski, V. / Ballard, C. / Wojdyr, M. / Wu, R. / Sanishvili, R. / Xu, Y. / Lisa, M.N. / Buschiazzo, A. / Shepard, W. / ...

History

Deposition	Oct 2, 2017	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Oct 25, 2017	Provider: repository / Type: Initial release
Revision 1.1	Mar 13, 2024	Group: Data collection / Database references Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / citation / citation_author / database_2 Item: _citation.journal_abbrev / _citation.journal_id_CSD ..._citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	6b6m.cif.gz	315.5 KB	Display	PDBx/mmCIF format
PDB format	pdb6b6m.ent.gz	260.7 KB	Display	PDB format
PDBx/mmJSON format	6b6m.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	6b6m_validation.pdf.gz	429.8 KB	Display	wwPDB validaton report
Full document	6b6m_full_validation.pdf.gz	433.7 KB	Display
Data in XML	6b6m_validation.xml.gz	32.6 KB	Display
Data in CIF	6b6m_validation.cif.gz	47 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/b6/6b6m ftp://data.pdbj.org/pub/pdb/validation_reports/b6/6b6m	HTTPS FTP

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Related structure data

Related structure data	6b0dC 6by0C C: citing same article (ref.)
Similar structure data	6tv0-d 1dwk-d 2iu7-d 1dw9-d 2ivq-d 2ivg-d 2ivb-d 4y42-d 2iuo-d 2iv1-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	#112 - Apr 2009 Oct and Sox Transcription Factors similarity (1) #39 - Mar 2003 lac Repressor similarity (1) #241 - Jan 2020 Twenty Years of Molecules similarity (1)

Deposited unit

A: Cyanate hydratase

B: Cyanate hydratase

C: Cyanate hydratase

D: Cyanate hydratase

E: Cyanate hydratase

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

1

A: Cyanate hydratase

B: Cyanate hydratase

C: Cyanate hydratase

D: Cyanate hydratase

E: Cyanate hydratase

A: Cyanate hydratase

B: Cyanate hydratase

C: Cyanate hydratase

D: Cyanate hydratase

E: Cyanate hydratase

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

Unit cell

Length a, b, c (Å)	136.560, 94.130, 89.110
Angle α, β, γ (deg.)	90.00, 125.49, 90.00
Int Tables number	5
Space group name H-M	C121

Components on special symmetry positions

ID	Model	Components
1	1	A-292- HOH
2	1	E-292- HOH

#1: Protein	Cyanate hydratase / Cyanase / Cyanate hydrolase / Cyanate lyase Mass: 17172.783 Da / Num. of mol.: 5 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Serratia proteamaculans (strain 568) (bacteria) Strain: 568 / Gene: cynS, Spro_1533 / Production host: Escherichia coli (E. coli) / References: UniProt: A8GBZ7, cyanase
#2: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 497 / 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: 2.72 Å³/Da / Density % sol: 54.7 %
Crystal grow	Temperature: 298 K / Method: evaporation / pH: 6.5 / Details: 0.1M magnesium acetate 10%PEG10000 0.1M MES

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.95374 Å
Detector	Type: ADSC QUANTUM 315 / Detector: CCD / Date: Nov 17, 2011
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.95374 Å / Relative weight: 1
Reflection	Resolution: 1.91→43.533 Å / Num. obs: 69947 / % possible obs: 97.9 % / Redundancy: 4 % / R_rim(I) all: 0.123 / Net I/σ(I): 10.26
Reflection shell	Resolution: 1.91→2 Å / Redundancy: 3.1 % / Num. unique obs: 8089 / R_rim(I) all: 0.833 / % possible all: 88.3

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Processing

Software

Name	Version	Classification
PHENIX	(1.12_2829: ???)	refinement
XDS		data reduction
XSCALE		data scaling
PHENIX		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.91→43.533 Å / SU ML: 0.19 / Cross valid method: FREE R-VALUE / σ(F): 1.99 / Phase error: 19.63

	R_factor	Num. reflection	% reflection
R_free	0.2019	3547	5.07 %
R_work	0.16	-	-
obs	0.1621	69940	98.3 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 1.91→43.533 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	5982	0	0	497	6479

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.007	6158
X-RAY DIFFRACTION	f_angle_d	0.814	8389
X-RAY DIFFRACTION	f_dihedral_angle_d	2.826	5224
X-RAY DIFFRACTION	f_chiral_restr	0.05	996
X-RAY DIFFRACTION	f_plane_restr	0.006	1081

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 (%)
1.91-1.9362	0.3262	110	0.286	1916	X-RAY DIFFRACTION	71
1.9362-1.9639	0.2932	120	0.2483	2546	X-RAY DIFFRACTION	94
1.9639-1.9932	0.254	140	0.2122	2620	X-RAY DIFFRACTION	98
1.9932-2.0243	0.2466	120	0.2027	2724	X-RAY DIFFRACTION	100
2.0243-2.0575	0.238	151	0.1968	2661	X-RAY DIFFRACTION	100
2.0575-2.093	0.2634	129	0.1915	2695	X-RAY DIFFRACTION	100
2.093-2.131	0.2512	159	0.1871	2666	X-RAY DIFFRACTION	100
2.131-2.172	0.2405	138	0.177	2696	X-RAY DIFFRACTION	100
2.172-2.2164	0.2212	148	0.1768	2649	X-RAY DIFFRACTION	100
2.2164-2.2646	0.2268	158	0.1777	2700	X-RAY DIFFRACTION	100
2.2646-2.3172	0.2197	159	0.1629	2690	X-RAY DIFFRACTION	100
2.3172-2.3752	0.2362	142	0.1631	2699	X-RAY DIFFRACTION	100
2.3752-2.4394	0.2089	154	0.1643	2666	X-RAY DIFFRACTION	100
2.4394-2.5112	0.2166	158	0.1634	2664	X-RAY DIFFRACTION	100
2.5112-2.5922	0.2079	154	0.1669	2690	X-RAY DIFFRACTION	100
2.5922-2.6848	0.2003	144	0.1604	2673	X-RAY DIFFRACTION	100
2.6848-2.7923	0.2055	137	0.1652	2707	X-RAY DIFFRACTION	100
2.7923-2.9194	0.1898	118	0.154	2708	X-RAY DIFFRACTION	100
2.9194-3.0733	0.1717	140	0.1593	2720	X-RAY DIFFRACTION	100
3.0733-3.2657	0.2095	152	0.15	2684	X-RAY DIFFRACTION	100
3.2657-3.5178	0.1962	138	0.1521	2697	X-RAY DIFFRACTION	100
3.5178-3.8716	0.1878	142	0.147	2696	X-RAY DIFFRACTION	100
3.8716-4.4314	0.1665	147	0.1273	2724	X-RAY DIFFRACTION	100
4.4314-5.5812	0.1684	156	0.1278	2721	X-RAY DIFFRACTION	100
5.5812-43.5445	0.1561	133	0.1483	2781	X-RAY DIFFRACTION	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	3.4719	-1.4823	0.2639	2.0329	-0.4389	1.4437	-0.0771	-0.1986	-0.0276	0.2218	0.0421	0.1308	0.0381	-0.0938	0.0652	0.1876	-0.0073	-0.0045	0.2239	-0.0749	0.1531	-4.1414	-4.6028	23.0289
2	0.7163	-0.0053	0.3959	2.6635	0.436	2.885	-0.0164	-0.1431	0.4809	0.2188	-0.0417	-0.0745	-0.1306	0.1526	-0.0059	0.1677	-0.0103	-0.0102	0.1519	-0.0942	0.2481	0.6502	3.8162	19.0666
3	4.8223	3.1246	2.9478	3.7402	-0.0664	4.2673	0.2564	-0.6382	0.6097	0.4429	-0.3475	0.3173	-0.3419	0.4224	-0.053	0.3298	0.0251	-0.0568	0.3462	-0.2161	0.2929	-0.6714	4.7607	29.5206
4	7.4027	-0.0091	-3.2376	3.1784	-0.0684	2.8734	-0.0591	-0.6325	-0.3548	0.2596	-0.1166	-0.1283	-0.035	-0.2512	0.152	0.2832	0.0348	-0.0511	0.3759	-0.0927	0.2235	1.4141	-3.5773	31.2801
5	1.5717	0.2865	1.1871	0.2251	0.0608	1.1599	0.0062	-0.067	0.1354	0.0063	-0.0386	0.034	0.1037	-0.0487	0.0416	0.1758	0.0115	-0.0036	0.1295	-0.017	0.1523	-0.4295	-9.9899	10.748
6	1.4612	0.4854	-0.247	0.6062	-0.1622	1.4949	-0.0756	0.0621	0.1161	0.0097	-0.0313	-0.0739	-0.1459	0.0638	0.1164	0.1483	0.0075	-0.0282	0.1318	0.0232	0.1901	3.7536	-1.1567	-4.2598
7	7.7595	-3.4441	0.9315	1.5657	-0.3608	0.1982	-0.0052	-0.2851	0.5748	0.0459	-0.0076	-0.1358	-0.158	-0.0524	0.0768	0.3022	-0.0186	-0.0864	0.1753	-0.0448	0.3722	-3.1223	9.4189	5.7066
8	2.4512	-2.6015	1.0366	3.0359	-0.4388	2.1721	0.134	0.1338	0.5181	-0.3498	-0.1653	0.2229	-0.4356	-0.1969	0.0216	0.2809	0.0388	-0.076	0.1734	-0.0408	0.3138	-8.1704	10.085	-0.4837
9	7.3681	-4.8961	-1.0396	5.0773	0.1377	1.3017	-0.1628	-0.0634	0.1892	0.1873	0.3737	-0.8036	0.2668	0.2754	-0.162	0.2323	-0.0489	-0.0306	0.2318	-0.0257	0.3233	21.5993	0.9904	-2.3801
10	2.5614	-0.0665	-0.9694	4.2263	-2.2916	4.5032	-0.1404	-0.2107	0.0471	-0.2749	-0.2051	0.0194	-0.3799	-0.0788	0.2841	0.2218	0.0216	-0.0251	0.2296	0.0938	0.1984	12.567	-5.6313	-15.8274
11	6.4985	-1.8876	1.8654	4.1832	-1.7572	1.534	0.1035	0.447	-0.267	-0.264	-0.0237	0.1289	0.2297	-0.1378	-0.0619	0.2207	-0.0298	0.0487	0.2005	0.0148	0.1517	23.0854	-19.0702	-19.1417
12	1.1074	-0.5662	-1.7232	7.3438	2.3971	3.5276	-0	-0.0085	-0.1313	0.5733	-0.1145	-0.6717	0.149	0.2296	0.0593	0.0891	0.0371	0.0765	0.2045	0.0045	0.2815	35.3635	-18.5596	-14.6747
13	2.2178	0.8476	0.2358	1.4506	-0.4086	1.9142	-0.2181	0.054	0.1944	-0.2737	0.0762	-0.3273	0.0091	0.0524	0.1121	0.1386	-0.0258	0.0408	0.1431	0.0198	0.2238	28.4774	-9.8412	-10.3747
14	2.7848	0.2327	1.1062	5.9021	-0.3674	4.0488	-0.2545	0.25	0.2181	-0.6283	0.1947	-0.4316	-0.1868	0.6143	0.0755	0.2678	-0.0299	0.0873	0.2976	0.1308	0.2951	32.2254	-7.9448	-20.4807
15	0.9392	0.0644	0.2309	1.6558	-0.509	0.7673	-0.0288	0.2464	0.1134	-0.259	-0.0267	-0.0328	0.0247	0.0481	0.046	0.1625	0.0034	0.005	0.201	0.0472	0.1602	19.3158	-13.0652	-14.3955
16	0.5884	0.0534	-0.0548	1.1721	0.4094	1.2133	-0.0457	-0.0457	0.0727	0.1002	-0.0263	-0.0672	-0.0109	0.0287	0.0838	0.1384	0.0097	-0.0154	0.1497	0.0031	0.147	18.8187	-14.8755	10.8349
17	6.0094	-6.3095	0.3898	8.0491	-0.3702	0.4686	-0.0381	-0.0515	0.4686	-0.3305	-0.0034	-0.851	-0.1611	0.2451	0.0567	0.2041	-0.0451	0.0005	0.2388	0.0119	0.3079	32.962	-15.2463	2.9585
18	9.0998	-7.1125	0.3708	6.6273	-0.3966	2.2462	0.1569	-0.1551	-0.0042	-0.1573	-0.0617	-0.8327	0.2529	0.3758	-0.1889	0.149	-0.0021	-0.0391	0.2521	-0.004	0.2088	34.1829	-21.3081	8.0552
19	7.3062	-1.8192	-0.5536	2.4613	0.2699	2.403	0.2234	-0.2188	0.8459	0.1994	-0.1417	-0.026	-0.4036	-0.5023	-0.0239	0.2134	0.0391	-0.0054	0.2198	-0.0529	0.2847	14.7162	2.6111	12.9871
20	0.7656	0.2157	0.3283	2.3741	-0.4657	2.5855	-0.1073	-0.1369	-0.0129	-0.1592	-0.248	-0.2938	0.1015	0.2794	0.4365	0.2063	0.0205	0.0419	0.2239	0.0561	0.2434	11.648	-34.9091	23.0183
21	2.5854	1.912	0.9523	7.2003	1.2881	1.5705	-0.0138	-0.1104	0.1866	0.426	-0.1175	0.6858	-0.0178	-0.1458	0.1454	0.205	0.0313	0.0123	0.2373	-0.0147	0.1285	9.157	-18.2811	28.9441
22	5.2398	-3.5263	-0.489	6.5222	2.09	4.9362	0.1533	0.0859	0.0668	0.2856	-0.0076	-0.3516	-0.1864	0.2061	-0.1307	0.207	-0.0104	-0.0331	0.2029	-0.0303	0.149	20.6862	-11.5668	29.8172
23	2.8813	-0.8075	-0.0037	2.4757	-0.9148	2.6593	0.0447	-0.341	-0.0013	0.1924	0.0112	-0.2833	0.0881	0.1299	-0.0017	0.1729	0.0258	-0.0273	0.1926	-0.0151	0.1422	22.3529	-21.5772	24.9497
24	4.6437	-1.8508	-0.0756	3.9748	-1.7455	2.6861	-0.2774	-0.9993	0.1818	1.0705	0.3878	-0.2936	0.3461	-0.0085	-0.0156	0.4035	0.0519	-0.1191	0.4016	-0.0347	0.1673	20.9412	-22.6511	35.7888
25	5.8163	-1.1316	-1.6539	3.13	3.9388	4.9797	-0.0386	-0.7628	-0.4784	1.029	-0.1293	0.1751	-0.0664	-0.3279	0.0483	0.4276	0.0357	0.024	0.3263	0.0687	0.1341	13.8379	-27.4783	34.8929
26	0.1514	-0.3262	-0.0986	1.6307	-0.6976	0.9115	-0.0872	-0.2699	0.0929	0.0428	0.2209	0.1055	0.0112	-0.2476	-0.147	0.1293	-0.016	-0.0243	0.1492	-0.0062	0.1567	10.761	-22.3583	14.0467
27	1.2277	-0.5187	-0.3354	0.7192	0.3512	1.1098	0.0228	0.1046	-0.0151	-0.0862	-0.0727	-0.0921	-0.0578	0.0022	0.057	0.1333	-0.0214	0.0108	0.1267	0.015	0.1746	23.1402	-19.4343	1.4012
28	0.1244	0.3438	0.2124	2.4646	1.5781	1.0001	0.018	-0.1788	-0.1312	0.3745	0.1635	-0.7232	0.0402	0.1024	-0.1403	0.1823	0.0107	-0.0366	0.2188	0.0095	0.2258	28.389	-12.5543	14.9196
29	1.906	-0.8515	0.095	2.0444	1.6578	1.7861	-0.2126	0.0534	0.2479	0.342	0.3136	-0.4182	-0.1093	0.1835	-0.0129	0.1442	-0.0188	-0.0169	0.1827	0.0068	0.2263	28.2672	-6.0194	10.2355
30	3.7449	2.1926	0.4386	7.4902	3.1375	3.421	0.1842	0.3929	-0.4353	0.2489	0.3448	-0.3168	0.5361	-0.1337	-0.5362	0.2037	0.0234	-0.0448	0.2074	0.0004	0.2613	31.3734	-35.514	0.4356
31	4.2436	2.1566	-0.7292	5.0257	-1.4745	5.2869	-0.0853	0.0123	-0.4244	0.2435	-0.139	0.1343	0.0419	-0.3283	0.2756	0.1541	-0.0023	0.0353	0.2806	0.0273	0.2529	-9.9266	-43.9706	16.5329
32	7.6242	-0.7812	2.6971	2.7255	-0.785	1.9692	-0.1564	-0.5575	0.2801	0.0474	0.0841	0.0228	-0.0742	-0.3391	0.0533	0.2095	-0.0021	0.0141	0.2406	0.0368	0.1259	3.3011	-38.7273	27.2735
33	3.9015	3.0844	1.5287	7.4532	3.3445	6.2383	0.0985	-0.5166	-0.5625	-0.0271	0.2073	-0.3895	0.1824	0.1299	-0.1996	0.2084	-0.0017	-0.0541	0.236	0.1095	0.2118	13.3701	-47.1424	27.8394
34	1.248	1.0623	-1.1719	4.0769	-0.4855	2.1599	-0.1299	-0.3337	-0.3138	0.2332	0.1308	0.0519	0.2766	-0.053	-0.0347	0.2218	0.0199	0.0119	0.1488	0.0818	0.2157	5.7165	-50.4517	20.113
35	4.572	-0.6988	1.2275	3.321	0.2832	3.3548	-0.0045	-0.547	-0.2984	0.509	-0.1013	0.2474	0.0925	-0.0926	0.1201	0.2657	-0.0233	0.0334	0.337	0.1408	0.2219	-1.0493	-49.6777	30.0887
36	0.6265	-0.0481	0.2905	0.2066	0.2111	0.6107	-0.0651	-0.1359	-0.0813	0.1502	0.0339	-0.0964	-0.079	-0.1487	-0.0095	0.1654	0.0292	-0.0031	0.1623	0.0375	0.1597	1.938	-38.8806	12.8748
37	0.7206	-0.0249	0.3244	1.1015	0.6547	1.7369	-0.0098	0.1004	-0.1394	-0.094	0.0168	-0.0766	-0.0212	0.0283	-0.0156	0.124	0.0062	0.0163	0.1355	-0.0046	0.172	12.6055	-44.3705	-1.5948
38	5.4823	3.553	4.6279	2.3061	3.001	3.8544	0.2391	-0.2402	-0.0082	0.2261	-0.1499	-0.067	0.438	-0.0005	-0.098	0.2491	0.0065	0.0116	0.1541	0.0714	0.2391	17.9778	-50.459	12.0523
39	4.3485	3.1501	4.9945	4.1655	2.9357	5.9976	0.2889	-0.0472	-0.5028	0.2134	-0.0392	-0.5646	0.212	0.1932	-0.166	0.1472	0.04	0.0112	0.1225	0.0074	0.292	25.0972	-47.1421	9.4237
40	8.6457	-1.5735	5.0563	0.546	-0.7766	3.4858	0.4301	0.2343	-0.5082	-0.3898	0.0087	0.0742	0.3171	-0.3128	-0.3521	0.2754	-0.0111	-0.0311	0.1797	-0.0735	0.2636	1.025	-56.4968	-8.1654
41	1.432	0.9589	0.3087	4.9014	0.4213	1.2765	-0.0139	0.2868	-0.0078	-0.2209	-0.0393	0.0946	0.0086	0.023	0.0378	0.1781	-0.006	0.039	0.2642	-0.0183	0.15	19.419	-38.8816	-18.5712
42	3.3654	-0.0852	-0.2557	1.9952	-0.8545	1.5791	0.0375	0.1204	-0.2996	0.0425	-0.0155	-0.1116	0.0769	0.0079	0.0007	0.1178	0.0122	0.0284	0.1633	-0.057	0.175	25.6458	-43.4069	-11.296
43	1.5096	0.8255	0.917	3.6566	0.7293	2.8245	-0.1807	0.4709	-0.2174	-0.3526	0.1419	-0.2942	-0.0024	0.2428	0.0913	0.2383	0.0062	0.1132	0.2996	-0.0462	0.2348	29.3459	-38.934	-21.7056
44	0.9809	0.0296	0.0115	0.3022	0.2973	0.7313	0.0189	-0.0066	-0.1161	0.0171	-0.0238	0.0039	0.0542	-0.1214	0.0283	0.1232	0.0135	0.0047	0.0878	0.0077	0.155	10.925	-39.8647	3.1904
45	0.7559	-0.0641	0.1169	1.7409	0.5634	0.839	0.0192	0.1234	-0.1777	-0.0789	-0.0612	-0.0709	-0.0478	0.0731	0.0976	0.1512	0.0463	0.0253	0.227	0.0235	0.2502	21.4617	-45.6065	4.9071
46	7.3515	4.8866	3.4816	3.6784	3.4013	4.5469	0.1267	-0.0866	-0.8283	0.1694	0.0854	-0.3542	0.5415	-0.0014	-0.1391	0.2549	0.0576	0.0027	0.1995	0.0215	0.3624	13.6893	-56.7786	2.2763
47	0.8289	-0.6743	-0.4971	3.7935	3.8795	4.007	-0.1533	-0.3316	0.1134	-0.2083	0.41	-0.6067	-0.4797	0.1886	-0.224	0.2349	0.0346	-0.011	0.2225	-0.0156	0.2652	27.3327	-32.7862	16.683

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 2 through 32 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 33 through 54 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 55 through 65 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 66 through 76 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 77 through 91 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 92 through 125 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 126 through 134 )
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 135 through 148 )
9	X-RAY DIFFRACTION	9	chain 'A' and (resid 149 through 156 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 2 through 8 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 9 through 24 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 25 through 33 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 34 through 54 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 55 through 65 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 66 through 91 )
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 92 through 125 )
17	X-RAY DIFFRACTION	17	chain 'B' and (resid 126 through 134 )
18	X-RAY DIFFRACTION	18	chain 'B' and (resid 135 through 148 )
19	X-RAY DIFFRACTION	19	chain 'B' and (resid 149 through 156 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 2 through 8 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 9 through 25 )
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 26 through 33 )
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 34 through 54 )
24	X-RAY DIFFRACTION	24	chain 'C' and (resid 55 through 65 )
25	X-RAY DIFFRACTION	25	chain 'C' and (resid 66 through 76 )
26	X-RAY DIFFRACTION	26	chain 'C' and (resid 77 through 91 )
27	X-RAY DIFFRACTION	27	chain 'C' and (resid 92 through 125 )
28	X-RAY DIFFRACTION	28	chain 'C' and (resid 126 through 134 )
29	X-RAY DIFFRACTION	29	chain 'C' and (resid 135 through 148 )
30	X-RAY DIFFRACTION	30	chain 'C' and (resid 149 through 156 )
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 2 through 8 )
32	X-RAY DIFFRACTION	32	chain 'D' and (resid 9 through 25 )
33	X-RAY DIFFRACTION	33	chain 'D' and (resid 26 through 33 )
34	X-RAY DIFFRACTION	34	chain 'D' and (resid 34 through 54 )
35	X-RAY DIFFRACTION	35	chain 'D' and (resid 55 through 75 )
36	X-RAY DIFFRACTION	36	chain 'D' and (resid 76 through 91 )
37	X-RAY DIFFRACTION	37	chain 'D' and (resid 92 through 125 )
38	X-RAY DIFFRACTION	38	chain 'D' and (resid 126 through 134 )
39	X-RAY DIFFRACTION	39	chain 'D' and (resid 135 through 148 )
40	X-RAY DIFFRACTION	40	chain 'D' and (resid 149 through 156 )
41	X-RAY DIFFRACTION	41	chain 'E' and (resid 2 through 32 )
42	X-RAY DIFFRACTION	42	chain 'E' and (resid 33 through 54 )
43	X-RAY DIFFRACTION	43	chain 'E' and (resid 55 through 76 )
44	X-RAY DIFFRACTION	44	chain 'E' and (resid 77 through 115 )
45	X-RAY DIFFRACTION	45	chain 'E' and (resid 116 through 134 )
46	X-RAY DIFFRACTION	46	chain 'E' and (resid 135 through 148 )
47	X-RAY DIFFRACTION	47	chain 'E' and (resid 149 through 156 )

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