PDB-4j25: Crystal structure of a Pseudomonas putida prolyl-4-hydroxylase (P4H)

ID or keywords:

Entry

Database: PDB / ID: 4j25

Title

Crystal structure of a Pseudomonas putida prolyl-4-hydroxylase (P4H)

Components

Putative uncharacterized protein

Keywords

OXIDOREDUCTASE / 2-oxoglutarate oxygenase / oxygen sensing / double-stranded beta helix / jellyroll fold / prolyl-4-hydroxylase

Function / homology

Function and homology information

peptidyl-proline dioxygenase activity / L-ascorbic acid binding / ferrous iron binding / cellular response to hypoxia
Similarity search - Function

Biological species

Pseudomonas putida (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 1.97 Å

Authors

Scotti, J.S. / McDonough, M.A. / Schofield, C.J.

Citation

Journal: Proc.Natl.Acad.Sci.USA / Year: 2014
Title: Human oxygen sensing may have origins in prokaryotic elongation factor Tu prolyl-hydroxylation
Authors: Scotti, J.S. / Leung, I.K.H. / Ge, W. / Bentley, M.A. / Paps, J. / Kramer, H.B. / Lee, J. / Aik, W. / Choi, H. / Paulsen, S.M. / Bowman, L.A.H. / Loik, N.D. / Horita, S. / Ho, C.H. / ...

History

Deposition	Feb 4, 2013	Deposition site: RCSB / Processing site: PDBJ
Revision 1.0	Feb 5, 2014	Provider: repository / Type: Initial release
Revision 1.1	Sep 17, 2014	Group: Database references
Revision 1.2	Oct 1, 2014	Group: Database references
Revision 1.3	Nov 8, 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_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_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_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	4j25.cif.gz	588 KB	Display	PDBx/mmCIF format
PDB format	pdb4j25.ent.gz	481 KB	Display	PDB format
PDBx/mmJSON format	4j25.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	4j25_validation.pdf.gz	521.1 KB	Display	wwPDB validaton report
Full document	4j25_full_validation.pdf.gz	542.7 KB	Display
Data in XML	4j25_validation.xml.gz	58.9 KB	Display
Data in CIF	4j25_validation.cif.gz	81 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/j2/4j25 ftp://data.pdbj.org/pub/pdb/validation_reports/j2/4j25	HTTPS FTP

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Related structure data

Related structure data	4iw3C 4j0qC 2g1mS S: Starting model for refinement C: citing same article (ref.)
Similar structure data	3bx8-7 4duh-1 5l79-d 4dzz-2 1r9g-1 5xru-2 2a6w-1 4bqu-2 5kso-d 4e07-2 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) 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

Related structure data

4iw3C

4j0qC

2g1mS

S: Starting model for refinement

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#240 - Dec 2019 Hypoxia-Inducible Factors similarity (6)

Deposited unit

A: Putative uncharacterized protein

B: Putative uncharacterized protein

C: Putative uncharacterized protein

D: Putative uncharacterized protein

E: Putative uncharacterized protein

F: Putative uncharacterized protein

G: Putative uncharacterized protein

H: Putative uncharacterized protein

hetero molecules

207 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Putative uncharacterized protein

hetero molecules

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

2

B: Putative uncharacterized protein

hetero molecules

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

3

C: Putative uncharacterized protein

hetero molecules

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

4

D: Putative uncharacterized protein

hetero molecules

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

5

E: Putative uncharacterized protein

hetero molecules

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

6

F: Putative uncharacterized protein

hetero molecules

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

7

G: Putative uncharacterized protein

hetero molecules

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

8

H: Putative uncharacterized protein

hetero molecules

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

Unit cell

Length a, b, c (Å)	45.330, 62.160, 132.830
Angle α, β, γ (deg.)	91.840, 94.700, 90.080
Int Tables number	1
Space group name H-M	P1

#1: Protein	Putative uncharacterized protein / Prolyl-4-hydroxylase Mass: 25640.732 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas putida (bacteria) / Strain: KT2440 / Gene: PP_5159 / Plasmid: pET28 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q88CM1
#2: Chemical	ChemComp-MN / MANGANESE (II) ION Mass: 54.938 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Mn
#3: Chemical	ChemComp-OGA / N-OXALYLGLYCINE Mass: 147.086 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C₄H₅NO₅
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 563 / 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: 1.82 Å³/Da / Density % sol: 32.33 % Description: THE ENTRY CONTAINS FRIEDEL PAIRS IN F_PLUS/MINUS COLUMNS Mosaicity: 0 °
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 5 Details: 0.1M MIB buffer pH 5.0, 25% PEG 1500, 2mM MnCl2, 5mM OGA, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: Diamond / Beamline: I04 / Wavelength: 0.9795 Å
Detector	Type: ADSC QUANTUM 315r / Detector: CCD / Date: Aug 15, 2012
Radiation	Monochromator: DOUBLE CRYSTAL MONOCHROMATOR / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9795 Å / Relative weight: 1
Reflection	Resolution: 1.97→62.13 Å / Num. obs: 99718 / % possible obs: 97.7 % / Redundancy: 3.8 % / B_iso Wilson estimate: 27.8 Å² / R_merge(I) obs: 0.069 / Net I/σ(I): 10.6
Reflection shell	Resolution: 1.97→2.02 Å / Redundancy: 3.9 % / R_merge(I) obs: 0.551 / Mean I/σ(I) obs: 2.3 / Num. unique all: 7268 / % possible all: 96.7

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Phasing

Phasing

Method:

molecular replacement

Phasing MR

	Highest resolution	Lowest resolution
Rotation	1.97 Å	62.13 Å
Translation	1.97 Å	62.13 Å

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Processing

Software

Name	Version	Classification
SCALA	0.1.16	data scaling
PHASER	2.5.1	phasing
PHENIX	1.8.1_1168	refinement
PDB_EXTRACT	3.11	data extraction
GDA		data collection
MOSFLM		data reduction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 2G1M

2g1m

Resolution: 1.97→62.127 Å / Occupancy max: 1 / Occupancy min: 0.5 / FOM work R set: 0.7938 / SU ML: 0.28 / σ(F): 1.96 / Phase error: 28.15 / Stereochemistry target values: ML
Details: THE ENTRY CONTAINS FRIEDEL PAIRS IN F_PLUS/MINUS COLUMNS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2573	1689	2.01 %	Random
R_work	0.2118	-	-	-
obs	0.2127	99718	94.7 %	-

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso max: 87.03 Å² / B_iso mean: 34.106 Å² / B_iso min: 8.41 Å²

Refinement step

Cycle: LAST / Resolution: 1.97→62.127 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	11194	0	88	563	11845

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.009	11602
X-RAY DIFFRACTION	f_angle_d	1.049	15821
X-RAY DIFFRACTION	f_chiral_restr	0.058	1667
X-RAY DIFFRACTION	f_plane_restr	0.004	2110
X-RAY DIFFRACTION	f_dihedral_angle_d	15.269	4098

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 28

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	Num. reflection obs	% reflection obs (%)
1.97-1.994	0.3672	137	0.3145	6708	6845	6845	95
1.994-2.0193	0.3284	128	0.3074	6835	6963	6963	95
2.0193-2.0458	0.3585	157	0.309	6785	6942	6942	95
2.0458-2.0739	0.3385	132	0.2939	7001	7133	7133	95
2.0739-2.1035	0.3171	154	0.2851	6593	6747	6747	95
2.1035-2.1349	0.3067	131	0.2801	6960	7091	7091	95
2.1349-2.1683	0.3292	135	0.2734	6795	6930	6930	95
2.1683-2.2038	0.3404	140	0.2658	6736	6876	6876	95
2.2038-2.2418	0.2801	139	0.262	6775	6914	6914	95
2.2418-2.2826	0.2763	145	0.2549	6764	6909	6909	94
2.2826-2.3265	0.362	152	0.2579	6708	6860	6860	94
2.3265-2.374	0.2734	132	0.2579	6751	6883	6883	94
2.374-2.4256	0.3118	133	0.2599	6726	6859	6859	95
2.4256-2.482	0.3319	138	0.2422	6832	6970	6970	94
2.482-2.5441	0.2681	142	0.2434	6695	6837	6837	94
2.5441-2.6129	0.2531	128	0.227	6690	6818	6818	94
2.6129-2.6898	0.2654	144	0.232	6748	6892	6892	94
2.6898-2.7766	0.2728	142	0.2225	6655	6797	6797	94
2.7766-2.8758	0.2474	124	0.2181	6843	6967	6967	94
2.8758-2.991	0.2448	137	0.2185	6787	6924	6924	94
2.991-3.1271	0.2908	144	0.2006	6655	6799	6799	94
3.1271-3.2919	0.2316	142	0.197	6799	6941	6941	95
3.2919-3.4982	0.2143	129	0.1857	6848	6977	6977	95
3.4982-3.7682	0.25	134	0.176	6775	6909	6909	95
3.7682-4.1474	0.1911	139	0.1666	6798	6937	6937	95
4.1474-4.7473	0.2174	138	0.1598	6746	6884	6884	95
4.7473-5.9804	0.2307	141	0.1805	6849	6990	6990	96
5.9804-62.1583	0.2274	144	0.1936	6634	6778	6778	93

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	0.9124	-0.2418	0.072	1.468	-0.1198	0.7157	-0.0814	-0.1188	-0.4081	0.0687	-0.0473	0.278	0.0349	-0.2461	0.086	0.2048	-0.0041	0.0609	0.1871	0.02	0.3098	7.7689	-26.7401	8.7024
2	4.2184	0.0138	-1.1285	1.7458	-0.0557	2.7345	-0.0447	-0.0197	-0.1602	-0.0717	-0.0871	-0.2177	0.2429	0.3007	0.0617	0.2686	0.0832	0.0574	0.0788	-0.0283	0.401	22.3252	-38.4801	3.0412
3	0.7047	-0.4899	0.1205	1.0616	-0.0293	0.6754	0.0138	0.1179	-0.2286	-0.3318	0.0043	0.1282	0.0827	0.074	-0.0037	0.1542	-0.0209	0.0316	0.1228	-0.0319	0.268	13.2744	-26.754	-2.5862
4	1.6157	-1.1683	0.2124	2.6405	-0.2966	0.7281	-0.1113	0.0714	0.1654	-0.0617	0.0025	-0.0463	-0.0773	0.1163	0.0691	0.2041	0.0372	-0.0138	0.3575	-0.0133	0.3693	32.4656	-21.6312	9.5838
5	1.3565	0.7016	1.7102	0.3772	0.8226	2.4229	-0.114	0.3616	0.4737	-0.388	-0.0057	-0.0687	-0.4001	0.2813	0.0791	0.2687	-0.0319	0.0589	0.2371	-0.051	0.2898	21.0034	-11.4422	-0.9998
6	1.3619	0.1083	0.1088	1.0843	0.3496	1.1091	-0.1643	-0.0176	-0.1632	0.2405	0.1679	-0.0297	-0.0668	0.0939	-0.0077	0.1939	0.0248	-0.006	0.1371	-0.0108	0.1937	20.9818	-22.0771	9.5944
7	0.9951	1.0368	1.4625	2.9846	1.5294	2.1568	0.0498	0.036	-0.1591	-0.0637	0.0673	0.2385	0.1923	-0.161	-0.0476	0.2768	-0.0352	-0.0033	0.2248	0.0398	0.4219	-16.0924	-33.9194	-59.2005
8	1.023	-0.2602	0.0062	1.4851	-0.0229	0.7289	0.068	-0.1678	-0.0216	0.0141	-0.0352	0.2101	0.0328	0.0094	-0.0112	0.1854	-0.0238	0.0171	0.0963	-0.0056	0.2381	-7.9193	-27.6424	-54.1115
9	2.2252	-2.1933	0.8696	2.1617	-0.8578	0.3409	-0.0243	0.2209	-0.0191	-0.0492	-0.1134	-0.1656	0.1994	0.1437	0.0991	0.3649	0.0703	0.0007	0.3082	-0.0432	0.234	5.231	-33.7158	-68.5041
10	0.9585	-0.6189	0.1394	2.4898	-0.0561	0.7223	-0.0329	0.1846	0.1163	-0.3436	0.0443	0.2191	-0.0293	-0.001	0.0083	0.2579	-0.0228	-0.0384	0.1368	0.0181	0.2295	-12.7139	-25.9923	-65.5895
11	1.5015	0.0346	0.4245	1.0958	0.1823	1.7445	0.0339	0.0502	0.233	-0.1109	0.006	-0.0546	-0.0848	0.283	-0.0625	0.147	-0.0705	0.0279	0.1119	-0.0062	0.1756	2.5069	-21.8853	-55.8892
12	2.8118	0.259	0.7574	3.497	-2.3003	1.8915	0.093	0.1915	0.3421	-0.3181	-0.018	-0.1095	-0.2883	0.012	-0.0452	0.6417	-0.1981	-0.1385	0.3261	0.0593	0.4444	-8.7832	-14.3987	-71.5225
13	3.8426	-2.9467	5.1273	6.5415	-6.8027	8.7653	-0.1271	-0.1342	0.0553	0.4203	0.0738	-0.1224	-0.3176	0.1879	0.0938	0.428	0.083	-0.13	0.2846	-0.0851	0.5735	8.1158	-68.6834	3.3478
14	0.8156	0.2468	-0.0951	1.5703	-0.2537	0.5725	-0.0124	0.1155	-0.02	0.1561	0.0942	-0.3372	-0.0373	-0.0593	-0.0475	0.1589	-0.0052	-0.0209	0.1251	-0.0097	0.2563	1.1461	-59.0459	-5.4262
15	3.3078	2.2954	0.7543	2.1395	0.2615	0.2964	0.0144	-0.2283	0.1307	0.2161	-0.2714	-0.053	-0.1692	0.081	0.1156	0.5038	-0.0367	0.0274	0.3008	0.0157	0.3186	-13.7837	-66.6302	9.0322
16	0.4715	0.2103	0.3156	2.1608	0.4202	0.2591	0.0123	-0.1478	0.1951	0.3384	0.0757	-0.1742	0.1783	-0.0095	0.007	0.4291	0.011	-0.2036	-0.1641	-0.0999	0.3639	5.3833	-57.736	5.1572
17	0.921	-0.5111	0.1263	0.9402	-0.5772	0.7613	0.0274	-0.2108	0.2313	0.4791	-0.0946	-0.0151	-0.2134	-0.1477	0.0668	0.3474	-0.0058	0.0069	0.2066	-0.0017	0.2206	-11.0931	-52.1243	3.1879
18	1.7294	-0.0935	0.2345	1.4302	-0.1939	1.2513	0.003	0.0083	0.2229	0.2286	0.0095	-0.0665	-0.1148	-0.1886	-0.0143	0.1859	0.0542	0.0215	0.1361	0.0117	0.1694	-8.7087	-52.5192	-4.0592
19	0.9627	-0.5741	0.2335	2.3772	-0.7812	0.7986	0.0666	-0.1019	-0.3475	-0.1059	0.0191	-0.2751	0.0602	0.0873	-0.0144	0.246	-0.0591	0.0101	0.1525	0.0517	0.2929	30.6725	-56.0561	-66.8837
20	1.2138	0.5284	-0.3514	1.6509	-0.5401	1.373	0.0966	-0.1048	-0.2368	-0.0976	-0.219	0.0285	0.4883	-0.1732	0.0563	0.3601	-0.0499	0.0539	0.1513	-0.0234	0.2687	19.1165	-66.8812	-65.5617
21	0.6397	0.248	0.1159	1.1027	0.0316	0.4595	-0.0302	-0.175	-0.0939	0.2405	0.0125	-0.092	0.0823	-0.0368	0.0132	0.2177	-0.0129	0.0335	0.1247	0.0232	0.2685	25.1246	-57.2869	-56.7195
22	1.1098	1.3874	-0.2746	3.2119	0.1757	0.2652	0.0792	-0.0544	-0.0464	0.0605	-0.0574	0.204	0.0267	-0.3872	-0.0269	0.1869	-0.0639	-0.0205	0.3313	0.0116	0.3028	7.751	-50.4779	-66.0786
23	1.5035	0.041	0.3763	1.3671	-0.2661	1.3343	-0.1212	-0.0067	-0.108	-0.3489	0.0388	0.1842	-0.047	-0.2006	0.0735	0.2123	0.0003	-0.0074	0.1315	-0.014	0.2189	15.4405	-52.7896	-69.2929
24	1.8933	-1.62	-0.6033	2.5349	2.7172	4.5549	0.0456	-0.1128	0.2029	0.008	0.0406	0.2049	-0.3213	-0.1704	-0.0662	0.523	0.1177	-0.1784	0.5012	-0.0547	0.3652	22.9458	-41.8506	-46.6671
25	0.9205	0.0681	0.4591	0.7931	-0.3428	0.5001	0.0767	0.0082	-0.3268	-0.0568	0.0695	-0.0249	0.5151	-0.1903	-0.0678	0.5518	0.0648	-0.0969	0.3705	0.0221	0.3486	-11.8859	-28.3419	-96.8037
26	0.1967	0.5112	0.0929	2.1576	0.2369	0.3262	-0.074	-0.1282	0.1455	0.0794	0.0234	0.0318	-0.1431	-0.133	0.0271	0.4303	0.0524	0.0499	0.5457	-0.0443	0.2703	-23.7237	-9.035	-87.3094
27	1.9062	-0.7008	-0.8098	0.3311	-0.1679	3.577	0.1207	-0.0554	0.1434	0.0573	0.0731	-0.0159	-0.1333	-0.1085	-0.1378	0.3958	0.0129	0.0141	0.3311	0.0261	0.2422	-12.1065	-4.9067	-89.6363
28	1.2049	-0.318	-0.174	1.4731	0.3967	1.347	0.0989	-0.1665	-0.1748	0.2842	-0.0808	-0.1691	0.2816	-0.2689	-0.0222	0.6983	-0.1057	-0.0919	0.3888	0.1156	0.3523	-12.5725	-24.8238	-83.0608
29	0.9801	0.0009	-0.1682	1.4658	-0.9405	1.9459	0.1309	-0.1738	-0.0231	0.1433	-0.1019	-0.1483	-0.1167	0.006	-0.0211	0.3378	0.0525	-0.0057	0.2082	-0.005	0.2179	-9.8477	-9.5831	-93.2359
30	0.8997	-0.0289	-0.1329	1.1261	-0.2469	1.2265	0.0806	0.0287	-0.0649	0.1329	-0.1025	-0.1558	0.1546	0.0667	0.0204	0.2783	0.0376	-0.027	0.2193	0.023	0.2245	-10.5645	-15.5086	-97.2533
31	3.3416	2.1126	-0.4586	2.7707	-1.6799	4.6528	-0.1688	-0.1351	-0.191	0.1616	0.0691	-0.0198	0.1638	0.0936	0.0957	0.3584	-0.0765	0.1529	0.3862	0.0102	0.5694	7.5724	-65.3492	-96.1214
32	1.1422	-0.2331	-0.2771	0.6147	0.0019	0.6378	-0.2454	-0.0639	0.1159	-0.1095	-0.0835	-0.008	-0.1673	-0.0064	0.2977	0.5138	0.0911	0.0011	0.3296	-0.0049	0.3968	18.6352	-47.2016	-101.0131
33	0.8973	-0.8504	-0.3759	1.1731	-0.1249	0.7924	-0.064	-0.0307	0.19	0.0392	0.0328	-0.1354	-0.1675	0.2125	0.0174	0.6409	0.1672	-0.0458	0.4589	-0.0717	0.7468	6.3858	-32.7246	-94.3432
34	0.8104	-0.3137	-0.3824	1.4157	0.8403	1.126	0.0443	0.0914	0.0303	0.0366	-0.0153	0.0517	-0.0875	-0.0505	0.001	0.6724	0.095	-0.0959	0.4059	-0.1032	0.4537	13.4511	-41.6914	-106.607
35	1.6325	0.8373	-0.4953	1.5372	-0.5125	1.0468	-0.1424	0.0356	-0.1206	-0.105	-0.1351	0.1064	0.3604	-0.3986	0.1826	0.6236	-0.0845	0.0915	0.3945	-0.0486	0.3266	10.4773	-58.3661	-108.1617
36	0.7214	0.0203	-0.2282	0.9229	0.0054	1.1579	-0.0154	-0.1375	0.2023	-0.2079	-0.0435	0.0076	-0.2108	-0.133	0.0362	0.3294	0.0553	0.001	0.3351	-0.0651	0.3519	10.8234	-48.2527	-93.9414
37	0.7533	-0.1065	-0.3254	0.0768	-0.0127	0.938	-0.1189	0.2088	-0.0668	0.112	0.1472	-0.2793	0.1436	0.9921	0.0012	0.4791	0.1622	-0.0439	1.1267	0.0115	0.2996	-11.051	-49.8935	-33.8797
38	0.3276	0.0621	0.3305	0.3448	0.1652	0.9153	-0.1231	0.0786	-0.0733	-0.0797	0.0538	-0.1352	0.1731	0.6773	-0.033	0.5664	0.4066	-0.0515	1.1112	-0.0014	0.1195	-16.954	-54.5851	-43.445
39	1.2366	0.582	-0.4006	0.556	-0.327	0.1954	-0.0951	0.1471	-0.052	-0.1284	-0.0201	-0.1686	-0.2647	0.5964	-0.0366	0.1951	-0.1388	0.0592	0.8483	0.1413	0.2351	-14.8969	-41.047	-29.1436
40	2.3964	-0.7748	0.9854	2.261	-0.5181	1.0248	-0.0011	-0.1692	0.1381	0.1231	0.2341	0.2672	0.1027	0.1682	-0.0812	0.2264	0.1002	0.0254	0.7016	0.0085	0.229	-25.6973	-48.4383	-35.4504
41	0.3606	-0.0486	-0.1496	0.2814	0.0627	0.8483	0.0628	0.1854	-0.0507	-0.1616	-0.0764	-0.2121	-0.0663	1.1006	0.1101	0.0618	0.1735	0.0297	1.1271	0.052	0.2318	-12.4102	-48.7985	-23.9828
42	0.8743	0.7355	-0.0678	2.4577	0.853	3.7657	-0.0907	0.1954	-0.0121	-0.1546	-0.1905	0.1381	0.0464	-0.0593	0.0768	0.2798	0.1415	-0.0191	0.7532	-0.0137	0.132	-23.12	-50.0281	-40.2008
43	0.2086	-0.104	0.2226	0.3778	0.0218	0.6265	0.0962	-0.0597	-0.129	-0.0215	0.0559	0.0673	0.3188	-0.2599	0.1326	0.8403	-0.7249	0.0449	0.8836	-0.0174	0.3507	8.0575	-30.2776	-29.3703
44	0.9691	-0.4354	-0.4803	2.6198	0.6389	0.8788	-0.0864	-0.1236	-0.0201	0.0858	-0.0686	0.083	0.1039	-0.0614	0.0685	0.3491	0.0324	0.0898	0.9641	-0.1241	0.3673	-6.398	-18.5214	-20.1047
45	2.4299	1.788	-0.5728	1.9069	-0.5877	1.5018	-0.0199	-0.25	-0.0915	0.1282	-0.0931	0.1132	0.0793	0.0548	0.0693	0.6721	0.3118	0.1509	0.9168	0.0542	0.5056	-1.3871	-3.8792	-19.5904
46	0.4965	-0.1152	0.0128	0.6633	-0.169	0.8667	0.1659	-0.0899	-0.0312	-0.2423	-0.3331	0.1821	0.2167	-1.1291	-0.0735	0.441	-0.1192	0.0052	0.9516	-0.1331	0.0623	7.5279	-16.3883	-20.5
47	0.7141	0.311	-0.0707	0.7009	-0.3858	2.767	-0.2021	-0.0292	0.0644	0.1574	-0.2148	-0.3412	-0.146	0.2568	0.2648	0.1807	-0.0261	0.0011	0.3964	-0.0567	0.2701	18.5118	-13.4371	-27.7099
48	0.2861	0.1152	-0.058	0.0644	0.0822	0.8454	-0.0123	-0.0816	-0.0408	-0.0156	-0.1146	0.1376	-0.0452	-1.165	0.0125	-0.3103	-0.1791	0.167	0.8271	-0.1081	0.1583	6.19	-17.3147	-32.5404

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 1:31)	A	1 - 31
2	X-RAY DIFFRACTION	2	(CHAIN A AND RESID 32:45)	A	32 - 45
3	X-RAY DIFFRACTION	3	(CHAIN A AND RESID 46:114)	A	46 - 114
4	X-RAY DIFFRACTION	4	(CHAIN A AND RESID 115:123)	A	115 - 123
5	X-RAY DIFFRACTION	5	(CHAIN A AND RESID 124:134)	A	124 - 134
6	X-RAY DIFFRACTION	6	(CHAIN A AND RESID 135:206)	A	135 - 206
7	X-RAY DIFFRACTION	7	(CHAIN B AND RESID 1:10)	B	1 - 10
8	X-RAY DIFFRACTION	8	(CHAIN B AND RESID 11:41)	B	11 - 41
9	X-RAY DIFFRACTION	9	(CHAIN B AND RESID 42:75)	B	42 - 75
10	X-RAY DIFFRACTION	10	(CHAIN B AND RESID 76:107)	B	76 - 107
11	X-RAY DIFFRACTION	11	(CHAIN B AND RESID 108:199)	B	108 - 199
12	X-RAY DIFFRACTION	12	(CHAIN B AND RESID 200:203)	B	200 - 203
13	X-RAY DIFFRACTION	13	(CHAIN C AND RESID 1:6)	C	1 - 6
14	X-RAY DIFFRACTION	14	(CHAIN C AND RESID 7:41)	C	7 - 41
15	X-RAY DIFFRACTION	15	(CHAIN C AND RESID 42:75)	C	42 - 75
16	X-RAY DIFFRACTION	16	(CHAIN C AND RESID 76:105)	C	76 - 105
17	X-RAY DIFFRACTION	17	(CHAIN C AND RESID 106:128)	C	106 - 128
18	X-RAY DIFFRACTION	18	(CHAIN C AND RESID 129:202)	C	129 - 202
19	X-RAY DIFFRACTION	19	(CHAIN D AND RESID 0:23)	D	0 - 23
20	X-RAY DIFFRACTION	20	(CHAIN D AND RESID 24:45)	D	24 - 45
21	X-RAY DIFFRACTION	21	(CHAIN D AND RESID 72:113)	D	72 - 113
22	X-RAY DIFFRACTION	22	(CHAIN D AND RESID 114:127)	D	114 - 127
23	X-RAY DIFFRACTION	23	(CHAIN D AND RESID 128:200)	D	128 - 200
24	X-RAY DIFFRACTION	24	(CHAIN D AND RESID 201:207)	D	201 - 207
25	X-RAY DIFFRACTION	25	(CHAIN E AND RESID 9:31)	E	9 - 31
26	X-RAY DIFFRACTION	26	(CHAIN E AND RESID 32:53)	E	32 - 53
27	X-RAY DIFFRACTION	27	(CHAIN E AND RESID 65:75)	E	65 - 75
28	X-RAY DIFFRACTION	28	(CHAIN E AND RESID 76:106)	E	76 - 106
29	X-RAY DIFFRACTION	29	(CHAIN E AND RESID 107:127)	E	107 - 127
30	X-RAY DIFFRACTION	30	(CHAIN E AND RESID 128:203)	E	128 - 203
31	X-RAY DIFFRACTION	31	(CHAIN F AND RESID 8:20)	F	8 - 20
32	X-RAY DIFFRACTION	32	(CHAIN F AND RESID 21:62)	F	21 - 62
33	X-RAY DIFFRACTION	33	(CHAIN F AND RESID 63:68)	F	63 - 68
34	X-RAY DIFFRACTION	34	(CHAIN F AND RESID 69:78)	F	69 - 78
35	X-RAY DIFFRACTION	35	(CHAIN F AND RESID 79:105)	F	79 - 105
36	X-RAY DIFFRACTION	36	(CHAIN F AND RESID 106:201)	F	106 - 201
37	X-RAY DIFFRACTION	37	(CHAIN G AND RESID 9:73)	G	9 - 73
38	X-RAY DIFFRACTION	38	(CHAIN G AND RESID 74:109)	G	74 - 109
39	X-RAY DIFFRACTION	39	(CHAIN G AND RESID 110:126)	G	110 - 126
40	X-RAY DIFFRACTION	40	(CHAIN G AND RESID 127:140)	G	127 - 140
41	X-RAY DIFFRACTION	41	(CHAIN G AND RESID 141:194)	G	141 - 194
42	X-RAY DIFFRACTION	42	(CHAIN G AND RESID 195:203)	G	195 - 203
43	X-RAY DIFFRACTION	43	(CHAIN H AND RESID 8:28)	H	8 - 28
44	X-RAY DIFFRACTION	44	(CHAIN H AND RESID 29:44)	H	29 - 44
45	X-RAY DIFFRACTION	45	(CHAIN H AND RESID 45:53)	H	45 - 53
46	X-RAY DIFFRACTION	46	(CHAIN H AND RESID 63:120)	H	63 - 120
47	X-RAY DIFFRACTION	47	(CHAIN H AND RESID 121:135)	H	121 - 135
48	X-RAY DIFFRACTION	48	(CHAIN H AND RESID 136:202)	H	136 - 202

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