PDB-4ohc: Crystal structure of orotate phosphoribosyltransferase (OPRTase) ...

ID or keywords:

Entry

Database: PDB / ID: 4ohc

Title

Crystal structure of orotate phosphoribosyltransferase (OPRTase) from Burkholderia cenocepacia

Components

Orotate phosphoribosyltransferase

Keywords

TRANSFERASE / Structural Genomics / NIAID / National Institute of Allergy and Infectious Diseases / Seattle Structural Genomics Center for Infectious Disease / SSGCID / OPRT / OPRTase

Function / homology

Function and homology information

orotate phosphoribosyltransferase / orotate phosphoribosyltransferase activity / nucleoside metabolic process / 'de novo' UMP biosynthetic process / magnesium ion binding
Similarity search - Function

Biological species

Burkholderia cenocepacia (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.85 Å

Authors

Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Citation

Journal: To be Published
Title: Crystal structure of orotate phosphoribosyltransferase (OPRTase) from Burkholderia cenocepacia
Authors: Lukacs, C.M. / Abendroth, J. / Edwards, T.E. / Lorimer, D.

History

Deposition	Jan 17, 2014	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Feb 5, 2014	Provider: repository / Type: Initial release
Revision 1.1	Nov 22, 2017	Group: Refinement description / Category: software
Revision 1.2	Sep 20, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_ref_seq_dif / struct_site 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_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_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_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4ohc.cif.gz	541.3 KB	Display	PDBx/mmCIF format
PDB format	pdb4ohc.ent.gz	447.5 KB	Display	PDB format
PDBx/mmJSON format	4ohc.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	4ohc_validation.pdf.gz	495.9 KB	Display	wwPDB validaton report
Full document	4ohc_full_validation.pdf.gz	502.3 KB	Display
Data in XML	4ohc_validation.xml.gz	60 KB	Display
Data in CIF	4ohc_validation.cif.gz	88.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/oh/4ohc ftp://data.pdbj.org/pub/pdb/validation_reports/oh/4ohc	HTTPS FTP

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Related structure data

Related structure data	3m3hS 3dez S: Starting model for refinement
Similar structure data	2h9v-d 3krp-3 5il2-d 5yps-2 4yai-d 2w62-d 2ddm-d 5d0a-2 5o9y-d 1np7-1 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-BuceA.18584.a

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#151 - Jul 2012 Hypoxanthine-guanine phosphoribosyltransferase similarity (3)

Deposited unit

A: Orotate phosphoribosyltransferase

B: Orotate phosphoribosyltransferase

C: Orotate phosphoribosyltransferase

D: Orotate phosphoribosyltransferase

E: Orotate phosphoribosyltransferase

F: Orotate phosphoribosyltransferase

hetero molecules

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

1

A: Orotate phosphoribosyltransferase

D: Orotate phosphoribosyltransferase

hetero molecules

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

2

B: Orotate phosphoribosyltransferase

E: Orotate phosphoribosyltransferase

hetero molecules

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

3

C: Orotate phosphoribosyltransferase

F: Orotate phosphoribosyltransferase

hetero molecules

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

4

Idetical with deposited unit
defined by software

Unit cell

Length a, b, c (Å)	76.310, 82.970, 83.100
Angle α, β, γ (deg.)	105.83, 104.27, 117.36
Int Tables number	1
Space group name H-M	P1

#1: Protein	Orotate phosphoribosyltransferase / OPRT / OPRTase Mass: 26561.299 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Burkholderia cenocepacia (bacteria) / Strain: J2315 / Gene: pyrE, BCAL0204 / Production host: Escherichia coli (E. coli) References: UniProt: B4E589, orotate phosphoribosyltransferase
#2: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C₂H₆O₂
#3: Chemical	ChemComp-ACT / ACETATE ION Mass: 59.044 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₂H₃O₂
#4: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Na
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1175 / 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: 2.54 Å³/Da / Density % sol: 51.57 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, sitting drop Details: JCSG+ g6: 200mM sodium malonate, 20% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 289K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 21-ID-G / Wavelength: 0.97872 Å
Detector	Type: RAYONIX MX225HE / Detector: CCD / Date: Dec 11, 2013
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97872 Å / Relative weight: 1
Reflection	Highest resolution: 1.85 Å / Num. all: 134209 / Num. obs: 130679 / % possible obs: 97.4 % / Redundancy: 3.9 % / B_iso Wilson estimate: 17.7 Å² / R_sym value: 0.06 / Net I/σ(I): 17.9
Reflection shell	Resolution: 1.85→1.9 Å / Redundancy: 3.6 % / R_merge(I) obs: 0.502 / Mean I/σ(I) obs: 2.75 / Num. unique all: 9459 / % possible all: 95.8

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Processing

Software

Name	Version	Classification
PHASER		phasing
REFMAC	5.8.0049	refinement
XDS		data reduction
XSCALE		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 3m3h

3m3h

Resolution: 1.85→50 Å / Cor.coef. F_o:F_c: 0.967 / Cor.coef. F_o:F_c free: 0.948 / SU B: 5.188 / SU ML: 0.082 / Cross valid method: THROUGHOUT / ESU R: 0.114 / ESU R Free: 0.114 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.19659	6564	5 %	RANDOM
R_work	0.15556	-	-	-
obs	0.15758	124114	97.62 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK

Displacement parameters

B_iso mean: 25.629 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0 Å²	0.06 Å²	0.24 Å²
2-	-	0.51 Å²	0 Å²
3-	-	-	-0.57 Å²

Refinement step

Cycle: LAST / Resolution: 1.85→50 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	10303	0	56	1175	11534

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.015	0.019	10738
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	10096
X-RAY DIFFRACTION	r_angle_refined_deg	1.573	1.934	14618
X-RAY DIFFRACTION	r_angle_other_deg	0.852	3	23114
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.039	5	1377
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	35.289	23.172	476
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	12.985	15	1696
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	18.029	15	74
X-RAY DIFFRACTION	r_chiral_restr	0.099	0.2	1651
X-RAY DIFFRACTION	r_gen_planes_refined	0.008	0.02	12247
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	2571
X-RAY DIFFRACTION	r_nbd_refined
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined
X-RAY DIFFRACTION	r_xyhbond_nbd_other
X-RAY DIFFRACTION	r_metal_ion_refined
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined
X-RAY DIFFRACTION	r_symmetry_hbond_other
X-RAY DIFFRACTION	r_symmetry_metal_ion_refined
X-RAY DIFFRACTION	r_symmetry_metal_ion_other
X-RAY DIFFRACTION	r_mcbond_it	1.004	0.564	5379
X-RAY DIFFRACTION	r_mcbond_other	0.991	0.559	5372
X-RAY DIFFRACTION	r_mcangle_it	1.665	0.826	6717
X-RAY DIFFRACTION	r_mcangle_other	1.665	0.827	6718
X-RAY DIFFRACTION	r_scbond_it	0.921	0.61	5359
X-RAY DIFFRACTION	r_scbond_other	0.921	0.611	5360
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	1.462	0.886	7876
X-RAY DIFFRACTION	r_long_range_B_refined	7.787	6.294	13196
X-RAY DIFFRACTION	r_long_range_B_other	7.786	6.297	13197
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

LS refinement shell

Resolution: 1.85→1.898 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.277	494	-
R_work	0.243	8957	-
obs	-	-	95.99 %

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	3.8414	-0.3076	0.0607	4.5616	1.3434	2.2804	-0.0201	0.2501	-0.1367	-0.0497	-0.0413	0.2799	-0.0431	-0.119	0.0614	0.129	-0.0309	-0.0127	0.2465	0.0027	0.1678	-62.5341	-28.4251	-25.5956
2	1.1161	-2.7941	-2.3559	8.2526	2.682	15.0751	-0.5836	-0.2394	-0.0798	1.2932	0.9166	0.2548	1.1615	0.3119	-0.3331	0.4993	-0.0729	-0.0391	0.34	-0.0919	0.5588	-73.1258	-44.4787	-16.8293
3	0.7521	-0.473	0.4429	0.6498	0.2634	1.1334	-0.0229	0.0209	-0.0555	0.0294	0.0119	0.1053	0.0384	0.0087	0.011	0.1307	-0.0357	0.0063	0.17	0.0068	0.1805	-51.8246	-29.9361	-14.2252
4	9.0852	2.1128	-5.9574	1.4769	-5.4543	20.7554	0.4855	-1.3249	0.0406	-0.1089	-0.1874	0.0947	0.5347	0.5138	-0.298	0.3027	-0.0117	-0.0258	0.3279	0.0511	0.3594	-53.6036	-42.3491	5.7785
5	2.3394	-0.3333	1.5907	0.6071	-0.5467	2.9179	-0.0121	-0.0861	-0.0898	0.0683	0.0438	0.1209	0.0479	-0.1652	-0.0318	0.1323	-0.0172	0.0189	0.1612	0.0129	0.1749	-62.1719	-29.313	-9.783
6	2.9198	-4.6659	-0.6364	7.5578	0.8084	0.6838	-0.1069	0.1477	-0.9047	0.3177	-0.0053	1.5104	-0.389	-0.3569	0.1122	0.3935	0.0787	0.078	0.5753	0.0972	0.4976	-79.6495	-35.5834	-20.391
7	4.44	0.5942	-0.0368	1.3826	0.2598	1.7532	-0.0908	-0.0935	0.3239	0.0239	0.0255	-0.1541	-0.0445	0.109	0.0652	0.1405	0.0101	-0.0298	0.1987	0.0113	0.2238	-7.379	-11.8403	-16.1943
8	0.8646	0.072	-0.796	0.5488	-0.7489	1.6225	0.0102	0.0105	-0.0111	0.0357	-0.0223	-0.0539	-0.0194	-0.0063	0.0121	0.1354	-0.0312	-0.0289	0.1642	-0.0086	0.177	-25.4461	-16.2111	-10.4006
9	0.2771	-1.0245	-0.6658	7.063	1.2105	2.4596	0.0114	-0.1392	0.0311	0.4228	0.1707	0.191	-0.37	0.1839	-0.1821	0.2466	-0.0135	0.0182	0.3433	-0.0762	0.1941	-28.3041	-8.1143	2.397
10	6.8992	-3.7549	-7.5643	6.1346	8.7887	13.6323	0.2404	-0.5572	0.1554	0.1938	-0.0466	-0.1126	0.0918	0.244	-0.1938	0.2647	-0.0678	-0.0767	0.2961	0.0438	0.3419	-12.5924	-9.3885	1.2265
11	3.1606	-0.3239	-1.9867	0.5272	0.4071	2.1832	-0.0369	-0.3163	-0.0047	0.1469	-0.0239	-0.1582	-0.0187	0.2004	0.0609	0.166	-0.0181	-0.0564	0.2133	0.0137	0.1896	-12.7195	-16.7404	-3.2
12	1.9901	-0.7331	-2.9279	2.773	1.6439	4.5308	0.0293	-0.211	0.1072	-0.1284	0.0229	-0.1686	-0.1232	0.4207	-0.0522	0.099	-0.023	-0.0716	0.3261	0.0277	0.3611	5.3862	-11.4675	-14.1994
13	2.101	-2.9963	-8.3407	4.2993	11.9563	33.2642	-0.4665	-0.2572	-0.0441	0.7668	0.2627	0.0563	2.05	0.7227	0.2038	0.6354	-0.1975	-0.1763	0.6133	-0.0305	0.1023	-15.047	-34.9862	-26.1533
14	1.8746	-0.9183	-1.1905	3.9257	1.0215	0.9842	0.0673	0.3568	-0.4437	-0.3538	-0.2216	-0.0942	0.0947	-0.1625	0.1543	0.295	0.0475	0.0015	0.2494	-0.1043	0.2778	-23.2959	-44.8991	-42.7993
15	1.6418	1.0266	0.0805	1.9666	-0.2413	0.2939	0.0315	0.0155	-0.0098	0.0549	-0.0258	0.0129	0.1144	0.0936	-0.0057	0.1621	-0.0084	0.0163	0.1765	-0.0108	0.1276	-25.5397	-27.059	-34.988
16	2.0446	-0.5236	-0.7479	1.9211	1.1243	9.9191	0.0601	0.2391	0.0893	-0.2992	-0.0232	0.0422	-0.2917	0.0141	-0.0368	0.1945	-0.0086	-0.0169	0.2026	0.0025	0.2461	-26.3664	-18.0234	-46.9495
17	0.8589	-0.1908	-0.2349	3.7483	-1.4921	1.7071	-0.0429	0.1521	-0.0798	-0.1854	-0.0724	-0.2748	0.0962	0.1809	0.1153	0.167	0.0025	0.0241	0.2472	-0.0052	0.1864	-15.8703	-28.1304	-43.9689
18	2.7401	-0.6662	1.2653	1.8693	0.0242	0.6812	0.1599	0.3752	-0.5125	0.0254	0.0517	-0.1932	0.0855	0.2582	-0.2116	0.3507	0.0986	0.1133	0.2494	-0.0373	0.4137	-14.2038	-52.5793	-46.2951
19	16.1355	20.174	-25.912	25.2556	-32.4267	41.6472	-0.6964	-2.0719	-1.9268	-1.0099	-2.5815	-2.5858	1.1866	3.3672	3.2779	0.9857	-0.15	0.7298	0.7348	0.1948	1.251	-21.1915	-41.3864	-16.0731
20	1.4909	1.3734	-0.6282	2.6956	-3.1423	5.0362	-0.0293	-0.1225	-0.1	0.0479	-0.0236	-0.0344	0.0404	-0.0545	0.0529	0.2027	0.0427	0.0365	0.1971	0.0248	0.1976	-32.1206	-45.289	3.5246
21	0.7524	-0.4991	0.1658	1.0418	0.8287	1.9384	-0.0877	-0.0743	-0.019	-0.0777	-0.0042	-0.0167	0.0201	0.0655	0.0919	0.1758	-0.0089	0.0117	0.1498	0.0214	0.1646	-37.0484	-38.7832	-14.8315
22	5.255	3.5514	-2.4637	5.5664	-2.7477	3.5096	-0.094	0.1287	-0.1209	-0.1797	0.1047	0.3348	0.3329	-0.4018	-0.0107	0.2036	-0.032	-0.0142	0.2098	-0.0361	0.2413	-51.2074	-46.6393	-19.3405
23	1.3946	0.2085	0.5435	1.9053	0.534	1.6428	-0.0564	0.0289	-0.2236	0.0419	0.0095	0.082	0.3142	-0.148	0.0469	0.2376	-0.0322	0.0471	0.1353	-0.0108	0.2126	-41.1601	-52.0276	-16.5596
24	0.862	-0.2662	0.6727	0.9552	-0.7336	2.5226	-0.034	-0.1085	-0.1366	-0.0006	-0.0526	-0.1328	0.2298	0.2189	0.0866	0.1882	0.0523	0.0593	0.1813	0.0605	0.2151	-27.3685	-52.2923	-0.9054
25	26.4353	29.5587	30.4711	33.0568	34.0712	35.1262	-0.6108	-2.5487	2.9975	-0.7262	-2.8706	3.3678	-0.681	-2.9456	3.4814	0.5223	0.0831	-0.0368	0.5613	-0.3341	0.627	-51.3666	-4.8336	-24.0018
26	2.9856	-1.5197	-1.7839	2.9651	1.5353	2.5495	-0.1916	-0.2534	0.2681	0.3155	0.1516	0.0693	-0.0994	-0.1668	0.04	0.214	0.0273	0.0031	0.1933	-0.0185	0.2606	-48.8706	-1.0961	-4.8272
27	22.7718	4.511	-18.0721	1.9113	-2.7192	15.076	1.2898	-0.5212	0.8857	0.0285	-0.4443	-0.0435	-1.237	0.0695	-0.8455	0.2839	0.2829	-0.1116	0.677	-0.1166	0.4405	-40.4189	13.7645	0.3729
28	1.5155	-0.0516	-0.7225	0.1585	-0.3499	1.3241	-0.0079	-0.0868	0.0957	0.0194	-0.0344	-0.0171	-0.1198	0.0336	0.0423	0.1704	-0.005	-0.0227	0.1561	-0.0264	0.1888	-33.8658	-4.0168	-16.5046
29	1.6075	0.06	1.2574	1.6905	-0.7139	1.3292	-0.1177	0.1673	0.0891	0.1425	-0.0282	-0.1547	-0.1824	0.1728	0.1459	0.1983	-0.0654	0.0014	0.1815	-0.0335	0.2383	-28.1262	4.1403	-19.6968
30	2.5759	-0.5935	-1.1804	0.7328	0.1627	1.3884	0.1028	-0.0631	0.3274	0.0595	-0.0086	0.0611	-0.2697	-0.0856	-0.0941	0.2098	0.0211	0.0007	0.1491	-0.0304	0.2572	-44.7427	8.1676	-13.0621
31	0.0166	0.039	-0.2692	2.2916	-12.3443	66.8102	0.1789	-0.1039	0.0021	0.3921	0.8685	0.2557	-1.8305	-3.2614	-1.0474	0.8067	0.2482	0.4488	1.0614	0.1457	0.2503	-54.3563	-13.4313	-33.4495
32	0.6585	0.2652	-0.9317	2.2359	-1.9452	6.1522	-0.0144	0.1717	0.1162	-0.1475	0.0265	-0.0313	-0.0844	-0.0369	-0.0121	0.1867	0.0102	-0.0073	0.2205	0.0489	0.1868	-41.8321	-5.5494	-51.1294
33	1.8041	0.975	0.2073	1.9944	-0.0134	0.3762	0.0459	0.087	0.0807	0.0326	-0.0178	-0.0302	0.0099	-0.1326	-0.0281	0.1599	-0.0189	-0.0106	0.193	0.0165	0.117	-41.8341	-21.4047	-38.4977
34	1.7671	0.1448	-1.3746	1.8895	1.2057	7.9387	-0.0757	0.2156	-0.2611	-0.2313	0.1	-0.1068	0.3548	-0.0759	-0.0244	0.2389	-0.0266	-0.0167	0.2333	-0.0367	0.2609	-38.1765	-34.8602	-47.1139
35	0.8508	-0.1016	-0.1807	3.3652	-0.3634	1.0532	-0.0398	0.2496	0.0072	-0.2109	0.0861	0.1093	0.1032	-0.2182	-0.0462	0.1707	-0.0511	-0.0377	0.3071	0.0132	0.144	-49.8932	-20.9751	-49.2782
36	1.7186	-0.6414	-0.4148	3.1887	0.9358	2.375	-0.0784	0.0581	0.3499	-0.1504	0.0101	0.2163	-0.4384	-0.3512	0.0683	0.3044	0.0545	-0.0209	0.3123	0.1027	0.2128	-49.2473	1.0823	-56.4453

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	2 - 25
2	X-RAY DIFFRACTION	2	A	26 - 34
3	X-RAY DIFFRACTION	3	A	35 - 101
4	X-RAY DIFFRACTION	4	A	102 - 110
5	X-RAY DIFFRACTION	5	A	111 - 199
6	X-RAY DIFFRACTION	6	A	200 - 219
7	X-RAY DIFFRACTION	7	B	2 - 44
8	X-RAY DIFFRACTION	8	B	45 - 102
9	X-RAY DIFFRACTION	9	B	103 - 129
10	X-RAY DIFFRACTION	10	B	130 - 138
11	X-RAY DIFFRACTION	11	B	139 - 192
12	X-RAY DIFFRACTION	12	B	193 - 219
13	X-RAY DIFFRACTION	13	C	2 - 5
14	X-RAY DIFFRACTION	14	C	6 - 44
15	X-RAY DIFFRACTION	15	C	45 - 91
16	X-RAY DIFFRACTION	16	C	92 - 110
17	X-RAY DIFFRACTION	17	C	111 - 192
18	X-RAY DIFFRACTION	18	C	193 - 219
19	X-RAY DIFFRACTION	19	D	2 - 4
20	X-RAY DIFFRACTION	20	D	5 - 42
21	X-RAY DIFFRACTION	21	D	43 - 91
22	X-RAY DIFFRACTION	22	D	92 - 117
23	X-RAY DIFFRACTION	23	D	118 - 158
24	X-RAY DIFFRACTION	24	D	159 - 219
25	X-RAY DIFFRACTION	25	E	2 - 4
26	X-RAY DIFFRACTION	26	E	5 - 29
27	X-RAY DIFFRACTION	27	E	30 - 35
28	X-RAY DIFFRACTION	28	E	36 - 109
29	X-RAY DIFFRACTION	29	E	110 - 136
30	X-RAY DIFFRACTION	30	E	137 - 218
31	X-RAY DIFFRACTION	31	F	2 - 5
32	X-RAY DIFFRACTION	32	F	6 - 42
33	X-RAY DIFFRACTION	33	F	43 - 90
34	X-RAY DIFFRACTION	34	F	91 - 118
35	X-RAY DIFFRACTION	35	F	119 - 193
36	X-RAY DIFFRACTION	36	F	194 - 219

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