PDB-5vr8: Human UDP-Glucose Dehydrogenase with UDP-Xylose Bound to the Co-e...

ID or keywords:

Entry

Database: PDB / ID: 5vr8

Title

Human UDP-Glucose Dehydrogenase with UDP-Xylose Bound to the Co-enzyme Site

Components

UDP-glucose 6-dehydrogenase

Keywords

OXIDOREDUCTASE / hUGDH / UDP-Xylose / UDX / UDP-Glucose dehydrogenase

Function / homology

Function and homology information

Formation of the active cofactor, UDP-glucuronate / chondroitin sulfate biosynthetic process / UDP-glucose 6-dehydrogenase / UDP-glucose 6-dehydrogenase activity / UDP-glucuronate biosynthetic process / heparan sulfate proteoglycan biosynthetic process / glycosaminoglycan biosynthetic process / gastrulation with mouth forming second / protein hexamerization / neuron development ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON / Resolution: 1.999 Å

Authors

Kadirvelraj, R. / Beattie, N.R. / Wood, Z.A.

Citation

Journal: Nature / Year: 2018
Title: The entropic force generated by intrinsically disordered segments tunes protein function.
Authors: Keul, N.D. / Oruganty, K. / Schaper Bergman, E.T. / Beattie, N.R. / McDonald, W.E. / Kadirvelraj, R. / Gross, M.L. / Phillips, R.S. / Harvey, S.C. / Wood, Z.A.

History

Deposition	May 10, 2017	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jul 19, 2017	Provider: repository / Type: Initial release
Revision 2.0	Mar 21, 2018	Group: Advisory / Database references ...Advisory / Database references / Polymer sequence / Source and taxonomy / Structure summary Category: entity / entity_poly ...entity / entity_poly / entity_poly_seq / entity_src_gen / pdbx_poly_seq_scheme / pdbx_unobs_or_zero_occ_residues / struct_ref / struct_ref_seq Item: _entity.formula_weight / _entity_poly.pdbx_seq_one_letter_code ..._entity.formula_weight / _entity_poly.pdbx_seq_one_letter_code / _entity_poly.pdbx_seq_one_letter_code_can / _entity_src_gen.pdbx_end_seq_num / _struct_ref.pdbx_seq_one_letter_code / _struct_ref_seq.db_align_end / _struct_ref_seq.pdbx_auth_seq_align_end / _struct_ref_seq.seq_align_end
Revision 2.1	Mar 28, 2018	Group: Data collection / Database references / Category: citation / Item: _citation.title
Revision 2.2	Nov 7, 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.title / _citation.year
Revision 2.3	Nov 14, 2018	Group: Data collection / Database references / Category: citation_author / Item: _citation_author.name
Revision 2.4	Nov 28, 2018	Group: Data collection / Database references / Category: citation / citation_author Item: _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.name
Revision 2.5	Dec 5, 2018	Group: Data collection / Database references / Category: citation Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 2.6	Apr 26, 2023	Group: Database references / Derived calculations Category: database_2 / pdbx_struct_assembly ...database_2 / pdbx_struct_assembly / pdbx_struct_assembly_gen / pdbx_struct_assembly_prop Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 2.7	May 22, 2024	Group: Data collection / Category: chem_comp_atom / chem_comp_bond

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5vr8.cif.gz	1.1 MB	Display	PDBx/mmCIF format
PDB format	pdb5vr8.ent.gz	911.9 KB	Display	PDB format
PDBx/mmJSON format	5vr8.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	5vr8_validation.pdf.gz	3.9 MB	Display	wwPDB validaton report
Full document	5vr8_full_validation.pdf.gz	3.9 MB	Display
Data in XML	5vr8_validation.xml.gz	100.9 KB	Display
Data in CIF	5vr8_validation.cif.gz	142.7 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/vr/5vr8 ftp://data.pdbj.org/pub/pdb/validation_reports/vr/5vr8	HTTPS FTP

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Related structure data

Related structure data	5w4xC C: citing same article (ref.)
Similar structure data	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	#111 - Mar 2009 Hydrogenase similarity (1) #228 - Dec 2018 Directed Evolution of Enzymes similarity (1) #127 - Jul 2010 Crystallins similarity (1)

Deposited unit

A: UDP-glucose 6-dehydrogenase

B: UDP-glucose 6-dehydrogenase

C: UDP-glucose 6-dehydrogenase

D: UDP-glucose 6-dehydrogenase

E: UDP-glucose 6-dehydrogenase

F: UDP-glucose 6-dehydrogenase

hetero molecules

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

1

Idetical with deposited unit
defined by author&software

Unit cell

Length a, b, c (Å)	89.080, 196.490, 111.260
Angle α, β, γ (deg.)	90.00, 111.91, 90.00
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	UDP-glucose 6-dehydrogenase / UDPGDH Mass: 55232.086 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: UGDH / Production host: Escherichia coli (E. coli) / References: UniProt: O60701, UDP-glucose 6-dehydrogenase
#2: Chemical	ChemComp-UDX / URIDINE-5'-DIPHOSPHATE-XYLOPYRANOSE / UDP-ALPHA-D-XYLOPYRANOSE Mass: 536.276 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: C₁₄H₂₂N₂O₁₆P₂
#3: Chemical	ChemComp-ADP / ADENOSINE-5'-DIPHOSPHATE Mass: 427.201 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₁₀H₁₅N₅O₁₀P₂ / Comment: ADP, energy-carrying molecule*YM
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1087 / 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: 2.9 Å³/Da / Density % sol: 57.52 %
Crystal grow	Temperature: 298.15 K / Method: vapor diffusion, hanging drop / pH: 7.2 Details: 14% 1-6 Hexanediol, 10% PEG 3350, 100mM HEPEs, 10mM Adenosine Diphosphate, 5mM UDP-Xylose

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
Detector	Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Feb 14, 2009
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 1.999→49.123 Å / Num. obs: 222659 / % possible obs: 93.2 % / Redundancy: 12.26 % / Net I/σ(I): 14.91

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Processing

Software

Name	Version	Classification
PHENIX	1.10.1_2155	refinement
XDS		data reduction
XDS		data scaling
PHASER		phasing

Refinement

Resolution: 1.999→49.123 Å / SU ML: 0.17 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 19.14

	R_factor	Num. reflection	% reflection
R_free	0.1896	11194	5.03 %
R_work	0.1561	-	-
obs	0.1578	222596	93.32 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 1.999→49.123 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	21583	0	394	1087	23064

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.008	22389
X-RAY DIFFRACTION	f_angle_d	0.907	30360
X-RAY DIFFRACTION	f_dihedral_angle_d	19.777	8364
X-RAY DIFFRACTION	f_chiral_restr	0.056	3471
X-RAY DIFFRACTION	f_plane_restr	0.005	3846

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 (%)
1.9994-2.0221	0.3002	238	0.2376	4326	X-RAY DIFFRACTION	57
2.0221-2.0459	0.2455	247	0.2083	4634	X-RAY DIFFRACTION	62
2.0459-2.0709	0.2602	269	0.1975	5050	X-RAY DIFFRACTION	67
2.0709-2.0971	0.2478	259	0.1848	5409	X-RAY DIFFRACTION	72
2.0971-2.1247	0.2289	335	0.1821	5874	X-RAY DIFFRACTION	78
2.1247-2.1538	0.2276	337	0.1714	6560	X-RAY DIFFRACTION	87
2.1538-2.1846	0.2152	401	0.1647	7332	X-RAY DIFFRACTION	97
2.1846-2.2172	0.1966	398	0.1592	7390	X-RAY DIFFRACTION	99
2.2172-2.2518	0.2046	423	0.1618	7376	X-RAY DIFFRACTION	99
2.2518-2.2887	0.2006	411	0.158	7426	X-RAY DIFFRACTION	98
2.2887-2.3282	0.1954	372	0.1564	7427	X-RAY DIFFRACTION	98
2.3282-2.3705	0.2147	391	0.1547	7469	X-RAY DIFFRACTION	99
2.3705-2.4161	0.2019	391	0.1588	7468	X-RAY DIFFRACTION	99
2.4161-2.4655	0.1904	378	0.1549	7432	X-RAY DIFFRACTION	99
2.4655-2.5191	0.2022	409	0.1528	7442	X-RAY DIFFRACTION	99
2.5191-2.5777	0.2021	394	0.1615	7445	X-RAY DIFFRACTION	99
2.5777-2.6421	0.1956	382	0.162	7478	X-RAY DIFFRACTION	99
2.6421-2.7135	0.2226	398	0.1666	7497	X-RAY DIFFRACTION	99
2.7135-2.7934	0.2034	445	0.1694	7404	X-RAY DIFFRACTION	99
2.7934-2.8835	0.2172	403	0.1711	7485	X-RAY DIFFRACTION	99
2.8835-2.9866	0.2061	384	0.1636	7507	X-RAY DIFFRACTION	99
2.9866-3.1061	0.2109	396	0.1684	7463	X-RAY DIFFRACTION	99
3.1061-3.2475	0.201	406	0.1751	7500	X-RAY DIFFRACTION	99
3.2475-3.4187	0.1964	380	0.1775	7572	X-RAY DIFFRACTION	100
3.4187-3.6328	0.1829	413	0.1636	7492	X-RAY DIFFRACTION	100
3.6328-3.9132	0.1886	391	0.1536	7568	X-RAY DIFFRACTION	100
3.9132-4.3068	0.1585	394	0.1396	7538	X-RAY DIFFRACTION	100
4.3068-4.9294	0.1393	382	0.1201	7593	X-RAY DIFFRACTION	100
4.9294-6.2086	0.1613	383	0.1382	7591	X-RAY DIFFRACTION	100
6.2086-49.1373	0.1506	384	0.1324	7654	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	2.5266	0.6386	0.4379	1.6812	-0.2372	2.1031	-0.069	0.1191	0.0262	-0.001	0.117	-0.185	-0.108	0.2247	-0.0417	0.1104	-0.0279	-0.0251	0.254	-0.0253	0.2691	28.0868	-0.3608	29.4834
2	1.7835	0.4781	0.8076	1.9433	0.541	2.0856	0.0005	-0.0533	-0.2616	-0.0127	0.0551	-0.2177	0.1514	-0.0062	-0.0568	0.1743	0.0039	-0.0268	0.234	-0.0047	0.2826	19.7968	-16.8795	34.65
3	1.712	-0.4374	0.453	1.549	-0.792	1.2129	-0.0343	-0.2364	-0.0369	0.1302	0.0727	-0.161	0.0196	-0.0725	-0.0327	0.1666	-0.0181	-0.059	0.2464	-0.0184	0.2607	17.4551	-6.714	39.9371
4	1.8359	0.6657	-0.7941	3.2198	-1.53	2.1842	-0.0411	-0.399	0.1734	0.3457	0.0094	-0.221	-0.2286	0.0113	0.0472	0.234	-0.0164	-0.0467	0.2989	-0.0805	0.2493	15.5603	3.2788	44.8367
5	0.8431	-0.1627	-0.1582	0.6905	-0.0488	0.8917	-0.0369	0.0838	0.0379	-0.0301	0.0072	-0.0297	-0.084	0.0999	0.0332	0.1319	-0.0188	-0.0158	0.1624	-0.0019	0.1897	-4.7333	-3.7129	23.6238
6	1.1039	0.59	-0.8479	0.6796	-0.2978	1.9402	-0.1643	0.182	-0.092	-0.1337	0.1113	-0.0553	0.113	0.0362	0.0548	0.1384	-0.0109	-0.0075	0.1871	-0.0218	0.2082	2.6807	-14.3178	13.7216
7	3.1834	-0.5938	1.3137	2.2275	0.0921	3.674	-0.0605	0.4322	-0.1839	-0.2277	0.1689	-0.2596	0.1851	0.4142	-0.0842	0.2155	-0.0662	0.0454	0.3571	-0.0542	0.2423	12.9269	-12.5468	0.4843
8	2.3276	0.5137	0.781	1.2451	0.5935	3.9449	-0.1687	0.3919	0.2984	-0.267	0.1291	-0.0293	-0.4418	0.1617	0.0615	0.2807	-0.0593	-0.0168	0.2762	0.0533	0.2127	3.386	-0.3161	-2.32
9	1.4218	-0.3685	-0.9187	1.2779	-1.0322	8.2817	0.1808	0.2866	0.2758	-0.2965	0.1847	0.193	-0.5392	-0.6755	-0.3578	0.3243	-0.0014	-0.0403	0.3387	0.0771	0.2816	-5.8029	0.8088	1.3082
10	1.682	-0.4104	-0.3137	1.1005	-0.1597	1.9911	-0.0171	-0.0774	0.296	0.0164	0.0225	0.0812	-0.1544	-0.0939	-0.0081	0.1415	0.0191	-0.041	0.1304	-0.0453	0.2427	-37.9374	13.0657	31.3478
11	1.4177	-0.5497	0.473	2.3976	-0.6483	1.2189	0.0224	0.126	-0.1216	0.0272	-0.0548	0.1519	0.1559	0.0095	0.0311	0.2268	-0.011	-0.0178	0.1884	-0.0206	0.2466	-36.4777	-3.1304	21.4134
12	2.1095	0.3144	0.3482	1.1662	0.139	1.7833	-0.0756	0.1785	0.171	-0.1412	0.0202	0.0417	-0.0365	0.071	0.0528	0.1607	0.0211	-0.0296	0.1127	0.0059	0.2214	-30.0349	6.4403	19.215
13	1.9908	-0.7325	-0.1795	2.6983	1.1846	3.5307	0.0447	0.1397	0.4478	-0.118	-0.1151	-0.0477	-0.2641	0.0893	0.0789	0.2109	-0.0265	-0.0069	0.1292	0.0503	0.2701	-24.2994	15.8509	17.4392
14	1.1412	-0.1325	0.0783	0.869	-0.2373	1.3307	-0.049	-0.2091	0.0282	0.0927	0.0397	-0.0546	-0.0684	-0.0107	0.0179	0.1417	0.0077	-0.0152	0.1522	-0.0122	0.1803	-9.5125	-4.4384	34.2811
15	0.6608	-0.2573	-0.5675	0.7217	0.3099	1.9511	-0.0792	-0.0811	-0.0792	0.1264	0.0362	0.0583	0.1687	0.0011	0.0531	0.1627	-0.001	-0.0186	0.164	0.0118	0.216	-21.0562	-13.7836	40.9899
16	3.0293	0.1809	0.9622	1.7365	-0.3886	3.5211	-0.0979	-0.3262	-0.1513	0.3478	0.1251	0.3037	0.0465	-0.3889	-0.0073	0.2561	0.0574	0.0633	0.2948	0.0406	0.2464	-30.1172	-11.7187	55.4205
17	1.7559	-1.4992	0.6117	2.8655	-1.5005	3.5187	-0.215	-0.3498	0.1189	0.5172	0.1929	-0.0496	-0.2474	0.0953	0.0454	0.2734	0.0211	-0.025	0.2496	-0.0196	0.1773	-17.2817	-6.0736	60.4882
18	1.4916	-0.025	-0.487	1.3481	-0.9865	7.9166	0.114	-0.3044	0.1898	0.3614	-0.0915	-0.3521	-0.1194	1.0024	-0.0652	0.2955	0.0008	-0.0716	0.375	0.0168	0.2782	-8.2128	-7.5159	56.8665
19	2.0232	0.0008	-0.2723	2.3547	0.0253	0.7891	0.0303	-0.1056	-0.0429	0.2321	-0.1092	0.1777	0.1267	-0.2074	0.0682	0.2063	-0.0693	0.0288	0.1984	-0.0088	0.1333	-60.7515	-55.5129	2.7025
20	2.0266	0.2299	-0.8056	2.73	-0.3156	0.5673	0.1691	-0.7121	0.0701	0.5229	-0.2439	-0.2267	0.124	0.088	0.0392	0.4349	-0.0821	-0.0424	0.3453	0.0239	0.1947	-45.0491	-58.8962	13.2788
21	2.1481	0.0482	-0.2381	2.4156	-0.5637	1.7959	0.006	-0.159	-0.3331	0.1397	-0.0502	-0.2199	0.2987	0.0116	0.0821	0.2299	-0.0459	-0.0226	0.161	0.01	0.1747	-45.7524	-61.3408	1.9594
22	4.0401	-1.2529	1.0994	1.8361	-0.1915	1.9576	0.0983	0.2376	-0.4803	-0.1161	-0.0891	0.0498	0.3985	-0.0036	-0.0161	0.2817	-0.0291	0.0226	0.1826	-0.0477	0.1857	-47.0015	-63.8214	-9.0807
23	1.1332	0.7796	-0.208	1.5355	-0.1621	0.8991	0.0186	0.0164	0.0761	-0.0033	0.0129	0.0292	0.006	0.0741	-0.0362	0.1523	-0.0074	-0.0012	0.1894	-0.0174	0.1632	-33.3348	-37.2537	-4.0653
24	1.6888	-0.046	0.0667	1.2138	0.2059	0.5779	0.0048	-0.1944	0.2423	0.1327	-0.0368	-0.038	-0.0027	0.0095	0.027	0.1587	-0.0285	-0.0013	0.1813	-0.037	0.1363	-38.437	-32.4424	10.5948
25	1.531	0.5862	-0.484	3.1744	0.7201	1.8028	0.1349	-0.3935	0.3971	0.4777	-0.2432	0.4878	0.0194	-0.212	0.0751	0.234	-0.0529	0.069	0.3048	-0.1413	0.3431	-52.1839	-24.5937	16.4168
26	2.1744	0.3943	-0.016	4.0626	1.2484	1.6527	-0.05	0.1032	0.3789	-0.2618	-0.1633	0.4793	-0.2025	-0.1892	0.2011	0.2439	0.026	-0.0695	0.2215	-0.0422	0.3723	-50.244	-16.7746	2.3006
27	2.6493	-2.4728	-1.3079	4.2105	0.8273	1.5937	0.2427	0.5067	0.3265	-0.6371	-0.3612	-0.3006	-0.3177	-0.173	0.0712	0.3298	0.0146	-0.0305	0.2294	-0.0109	0.3536	-41.7862	-16.1129	-2.8352
28	1.7465	0.7525	0.0015	1.7815	-0.4046	1.8279	-0.0496	-0.0943	0.0165	0.0912	0.0056	0.0694	-0.1166	-0.0933	0.047	0.2464	0.0395	0.0296	0.2255	-0.0065	0.1414	-18.253	-45.2078	80.2292
29	1.681	0.1139	0.7434	1.1675	0.2541	2.3679	0.0578	0.1507	0.0261	-0.0807	0.0632	0.1198	-0.1592	-0.1507	-0.109	0.2967	0.0372	-0.0021	0.253	0.018	0.2026	-16.4145	-32.9415	65.4135
30	1.179	-0.056	-0.2333	2.2039	0.0771	0.6995	-0.0813	-0.0328	0.065	0.08	0.0793	-0.1142	-0.0415	0.0656	0.0011	0.2579	0.0215	-0.0255	0.2324	-0.0055	0.111	-7.1759	-38.1796	70.3619
31	1.2244	0.0765	-0.9293	3.7294	-1.936	2.0369	-0.0476	-0.2142	0.1439	0.2462	0.0951	-0.1972	-0.0913	0.2458	-0.0372	0.2357	0.0134	-0.0351	0.2905	-0.0222	0.1568	1.5494	-43.083	75.2719
32	0.931	0.1042	-0.1679	1.0689	0.1151	0.8258	0.0187	0.1382	-0.0399	-0.1476	-0.0782	0.1273	0.0428	-0.1856	0.0647	0.2214	0.0231	-0.0108	0.2321	-0.0239	0.1239	-11.3581	-53.5035	48.2675
33	1.7624	0.2948	0.2309	2.5483	0.6359	2.0174	-0.0785	0.2173	-0.0528	-0.1587	-0.0895	0.7516	0.1009	-0.7526	0.1185	0.2283	-0.0584	-0.0171	0.4754	-0.0698	0.3903	-34.2403	-59.4626	53.9703
34	2.5281	1.4348	-0.0824	1.8373	0.0124	1.1085	-0.0813	0.1772	-0.7863	-0.1083	-0.1353	0.2532	0.7236	-0.4483	0.1553	0.4908	-0.1339	-0.0023	0.3685	-0.1063	0.5101	-27.2432	-73.9435	51.8954
35	1.4376	0.362	-0.4729	2.0949	0.1849	1.5754	-0.2358	0.3851	-0.1015	-0.5346	0.1081	-0.1577	0.0507	0.188	0.1169	0.4074	-0.1215	0.082	0.3823	-0.0414	0.1971	-8.8835	-29.4305	-32.5918
36	1.4161	-0.0161	0.4889	2.0307	-0.8338	1.6508	-0.0311	0.1037	-0.0197	-0.0002	0.0639	-0.0667	-0.1888	0.3208	-0.0242	0.2635	-0.0642	0.021	0.3006	-0.0258	0.2046	-7.2817	-22.0876	-14.8676
37	3.5628	2.1991	-0.622	5.1183	-0.3662	1.6398	-0.1315	0.0697	0.2935	0.0124	0.0279	0.0384	-0.4214	-0.0799	0.1073	0.311	-0.0636	-0.0375	0.2339	0.0386	0.1903	-11.9589	-10.9662	-18.5877
38	2.2974	0.1182	-0.2151	3.3663	-1.4405	2.0913	-0.198	0.3148	-0.0291	-0.08	0.0873	0.2119	-0.0249	0.0164	0.1078	0.2208	-0.0725	0.0017	0.2812	-0.0104	0.1862	-22.3193	-31.2311	-22.6945
39	1.956	0.7368	-0.5055	3.0941	1.5366	3.5096	-0.2033	0.5223	0.3122	-0.4826	0.1154	0.4265	-0.2681	0.016	0.0845	0.2986	-0.0511	-0.0863	0.3332	0.0704	0.2577	-26.8154	-21.4404	-26.816
40	1.006	0.6132	-0.0048	1.8039	-0.6651	1.0674	-0.0584	0.0263	-0.1601	-0.0948	-0.0025	-0.282	0.1023	0.1235	0.0597	0.1496	0.008	0.037	0.1874	-0.0339	0.1981	-25.5053	-45.0643	-7.8791
41	1.4108	-0.5206	-0.595	3.0121	0.9377	1.5241	-0.0955	-0.1498	-0.1286	0.1928	0.0715	-0.3348	0.0737	0.239	0.0237	0.1185	0.0052	-0.0124	0.2492	0.0038	0.2325	-15.8623	-40.5719	0.1624
42	2.06	-1.0513	-0.0834	2.9803	-0.3949	2.6023	-0.1318	-0.2341	-0.4085	-0.0736	0.0302	-0.7708	0.4801	0.4445	0.0866	0.269	0.0767	0.06	0.3862	-0.0217	0.6345	-4.0622	-54.8894	-9.2975
43	0.4861	0.3329	-0.4461	1.7738	0.0703	0.6925	-0.0282	0.0883	-0.6933	-0.2613	-0.0342	-1.3455	0.5403	0.6031	0.0457	0.3028	0.1641	0.2331	0.5063	-0.0479	0.9927	0.9305	-56.1985	-15.2999
44	0.4772	-0.8736	-0.3506	1.9147	0.3788	1.0715	-0.0509	0.262	-0.8657	-0.5223	-0.1234	-0.296	0.5881	0.2314	0.0243	0.5859	0.0935	0.1942	0.3304	-0.1233	0.7735	-10.082	-65.872	-16.7248
45	1.8677	-2.8362	-0.4896	5.0958	2.2241	3.2229	-0.1087	0.3888	-1.074	0.0236	-0.1203	-0.0374	1.0813	-0.1723	0.1921	0.5005	0.005	0.1004	0.3233	-0.104	0.7223	-18.3693	-66.4087	-11.0898
46	2.4266	0.0965	0.2772	2.594	0.7949	1.7364	0.0087	-0.0065	-0.1844	-0.3082	0.0045	-0.5373	0.2476	0.1925	-0.0396	0.3842	0.1237	0.0936	0.2524	-0.0021	0.3558	20.7334	-77.6746	35.5391
47	2.0277	0.0032	-0.3996	4.0874	1.3957	0.5071	0.2044	0.5685	0.1612	-0.9729	-0.3204	-0.0231	-0.0112	-0.0756	0.0968	0.6277	0.1081	0.0559	0.377	-0.0095	0.2855	5.4376	-71.6797	25.3673
48	0.7511	-0.3097	-0.0301	1.1157	0.075	0.6148	0.0324	0.0788	-0.1482	-0.1341	-0.0686	-0.0153	0.1685	-0.0293	0.039	0.2903	0.0361	0.0175	0.2128	-0.0082	0.1633	2.1771	-63.0708	41.3744
49	2.1107	0.6177	-0.1216	3.5011	-0.0763	1.1557	-0.0095	0.0058	0.1573	0.0266	-0.1126	-0.6939	0.0068	0.1665	0.0983	0.1994	0.0362	0.0182	0.2378	0.0423	0.3955	22.175	-41.6347	40.8552

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 1 through 87 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 88 through 135 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 136 through 185 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 186 through 212 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 213 through 276 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 277 through 372 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 373 through 413 )
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 414 through 440 )
9	X-RAY DIFFRACTION	9	chain 'A' and (resid 441 through 465 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 0 through 87 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 88 through 135 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 136 through 185 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 186 through 212 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 213 through 276 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 277 through 372 )
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 373 through 413 )
17	X-RAY DIFFRACTION	17	chain 'B' and (resid 414 through 440 )
18	X-RAY DIFFRACTION	18	chain 'B' and (resid 441 through 465 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 0 through 87 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 88 through 135 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 136 through 185 )
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 186 through 212 )
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 213 through 276 )
24	X-RAY DIFFRACTION	24	chain 'C' and (resid 277 through 372 )
25	X-RAY DIFFRACTION	25	chain 'C' and (resid 373 through 413 )
26	X-RAY DIFFRACTION	26	chain 'C' and (resid 414 through 440 )
27	X-RAY DIFFRACTION	27	chain 'C' and (resid 441 through 465 )
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 2 through 87 )
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 88 through 135 )
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 136 through 185 )
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 186 through 212 )
32	X-RAY DIFFRACTION	32	chain 'D' and (resid 213 through 321 )
33	X-RAY DIFFRACTION	33	chain 'D' and (resid 322 through 413 )
34	X-RAY DIFFRACTION	34	chain 'D' and (resid 414 through 465 )
35	X-RAY DIFFRACTION	35	chain 'E' and (resid 2 through 87 )
36	X-RAY DIFFRACTION	36	chain 'E' and (resid 88 through 135 )
37	X-RAY DIFFRACTION	37	chain 'E' and (resid 136 through 158 )
38	X-RAY DIFFRACTION	38	chain 'E' and (resid 159 through 185 )
39	X-RAY DIFFRACTION	39	chain 'E' and (resid 186 through 212 )
40	X-RAY DIFFRACTION	40	chain 'E' and (resid 213 through 276 )
41	X-RAY DIFFRACTION	41	chain 'E' and (resid 277 through 321 )
42	X-RAY DIFFRACTION	42	chain 'E' and (resid 322 through 367 )
43	X-RAY DIFFRACTION	43	chain 'E' and (resid 368 through 413 )
44	X-RAY DIFFRACTION	44	chain 'E' and (resid 414 through 440 )
45	X-RAY DIFFRACTION	45	chain 'E' and (resid 441 through 465 )
46	X-RAY DIFFRACTION	46	chain 'F' and (resid 1 through 87 )
47	X-RAY DIFFRACTION	47	chain 'F' and (resid 88 through 135 )
48	X-RAY DIFFRACTION	48	chain 'F' and (resid 136 through 321 )
49	X-RAY DIFFRACTION	49	chain 'F' and (resid 322 through 465 )

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