PDB-2v4a: Crystal structure of the SeMet-labeled prolyl-4 hydroxylase (P4H)...

ID or keywords:

Entry

Database: PDB / ID: 2v4a

Title

Crystal structure of the SeMet-labeled prolyl-4 hydroxylase (P4H) type I from green algae Chlamydomonas reinhardtii.

Components

PROLYL-4 HYDROXYLASE

Keywords

HYDROLASE

Function / homology

q2cbj1_9rhob like domain / Jelly Rolls / Sandwich / Mainly Beta

Function and homology information

Biological species

CHLAMYDOMONAS REINHARDTII (plant)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MAD / Resolution: 1.93 Å

Authors

Koski, M.K. / Hieta, R. / Bollner, C. / Kivirikko, K.I. / Myllyharju, J. / Wierenga, R.K.

Citation

Journal: J.Biol.Chem. / Year: 2007
Title: The Active Site of an Algal Prolyl 4-Hydroxylase Has a Large Structural Plasticity.
Authors: Koski, M.K. / Hieta, R. / Bollner, C. / Kivirikko, K.I. / Myllyharju, J. / Wierenga, R.K.

History

Deposition	Jun 28, 2007	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Oct 30, 2007	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Advisory / Refinement description / Version format compliance
Revision 1.2	Jul 24, 2019	Group: Data collection / Derived calculations / Category: diffrn_source / struct_conn Item: _diffrn_source.pdbx_synchrotron_site / _struct_conn.pdbx_leaving_atom_flag
Revision 1.3	Oct 23, 2024	Group: Data collection / Database references ...Data collection / Database references / Other / Structure summary Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_entry_details / pdbx_modification_feature Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf / _pdbx_entry_details.has_protein_modification

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	2v4a.cif.gz	166.9 KB	Display	PDBx/mmCIF format
PDB format	pdb2v4a.ent.gz	134.7 KB	Display	PDB format
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Validation report

Summary document	2v4a_validation.pdf.gz	489.3 KB	Display	wwPDB validaton report
Full document	2v4a_full_validation.pdf.gz	496.9 KB	Display
Data in XML	2v4a_validation.xml.gz	36.7 KB	Display
Data in CIF	2v4a_validation.cif.gz	48.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/v4/2v4a ftp://data.pdbj.org/pub/pdb/validation_reports/v4/2v4a	HTTPS FTP

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Related structure data

Related structure data	2jigC 2jijC C: citing same article (ref.)
Similar structure data	1zyn-1 1r44-6 1zyp-1 1aj6-d 1zyn-2 1v77-d 4nt9-3 6ix1-2 4urn-1 3hsd-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) Similarity search - Function & homologyF&H Search Similarity search - HomologyF&H Search

Related structure data

2jigC

2jijC

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: PROLYL-4 HYDROXYLASE

B: PROLYL-4 HYDROXYLASE

C: PROLYL-4 HYDROXYLASE

D: PROLYL-4 HYDROXYLASE

hetero molecules

107 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: PROLYL-4 HYDROXYLASE

hetero molecules

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

2

B: PROLYL-4 HYDROXYLASE

hetero molecules

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

3

C: PROLYL-4 HYDROXYLASE

hetero molecules

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

4

D: PROLYL-4 HYDROXYLASE

hetero molecules

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

Unit cell

Length a, b, c (Å)	137.490, 137.490, 88.130
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	96
Space group name H-M	P4₃2₁2

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Protein , 1 types, 4 molecules ABCD

#1: Protein	PROLYL-4 HYDROXYLASE Mass: 26477.760 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Details: N-TERMINALLY TRUNCATED CONSTRUCT STARTING FROM VAL-29 AND CONTAINING N-TERMINAL HIS-TAG Source: (gene. exp.) CHLAMYDOMONAS REINHARDTII (plant) / Strain: CC125MT137C / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): ORIGAMI(DE3)

#1: Protein

PROLYL-4 HYDROXYLASE

Mass: 26477.760 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Details: N-TERMINALLY TRUNCATED CONSTRUCT STARTING FROM VAL-29 AND CONTAINING N-TERMINAL HIS-TAG
Source: (gene. exp.)

CHLAMYDOMONAS REINHARDTII (plant) / Strain: CC125MT137C / Production host:

ESCHERICHIA COLI (E. coli) / Strain (production host): ORIGAMI(DE3)

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Non-polymers , 5 types, 324 molecules

#2: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Cl
#3: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₃H₈O₃
#4: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: SO₄
#5: Chemical	ChemComp-DMS / DIMETHYL SULFOXIDE Mass: 78.133 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₂H₆OS / Comment: DMSO, precipitant*YM
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 313 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has protein modification	Y
Sequence details	N-TERMINALLY TRUNCATED CONSTRUCT, STARTING FROM VAL29, TOGETHER WITH N-TERMINAL HIS-TAG

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 2

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Sample preparation

Crystal	Density Matthews: 1.8 Å³/Da / Density % sol: 31.5 % Description: THE PHASES WERE SOLVED BY USING A MAD DATA COLLECTED TO 2.8A. THE HIGH RESOLUTION DATA SET TO 1.93A WAS COLLECTED FROM HIGH ENERGY REMOTE

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

EMBL/DESY, HAMBURG

/ Beamline: BW7A / Wavelength: 0.9421, 0.9421, 0.9798

Detector

Type: MARRESEARCH / Detector: CCD / Date: Oct 1, 2005

Radiation

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

Radiation wavelength

ID	Wavelength (Å)	Relative weight
1	0.9421	1
2	0.9798	1

Reflection

Resolution: 1.93→25 Å / Num. obs: 457239 / % possible obs: 99.1 % / Observed criterion σ(I): 3 / Redundancy: 3.8 % / R_merge(I) obs: 0.06 / Net I/σ(I): 11.8

Reflection shell

Resolution: 1.93→2.05 Å / R_merge(I) obs: 0.34 / Mean I/σ(I) obs: 3.8 / % possible all: 98.1

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Processing

Software

Name	Version	Classification
REFMAC	5.3.0028	refinement
XDS		data reduction
XDS		data scaling
SOLVE		phasing

Refinement

Method to determine structure:

MAD
Starting model: NONE

Resolution: 1.93→19.87 Å / Cor.coef. F_o:F_c: 0.951 / Cor.coef. F_o:F_c free: 0.933 / SU B: 7.216 / SU ML: 0.104 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R: 0.155 / ESU R Free: 0.14 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.223	3176	5 %	RANDOM
R_work	0.188	-	-	-
obs	0.192	60331	99.6 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK

Displacement parameters

B_iso mean: 26.74 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.26 Å²	0 Å²	0 Å²
2-	-	0.26 Å²	0 Å²
3-	-	-	-0.52 Å²

Refinement step

Cycle: LAST / Resolution: 1.93→19.87 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	5773	0	41	313	6127

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.017	0.022	5946
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	1.526	1.954	8027
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.222	5	720
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	30.912	24.291	247
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	14.122	15	1024
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	22.548	15	24
X-RAY DIFFRACTION	r_chiral_restr	0.105	0.2	864
X-RAY DIFFRACTION	r_gen_planes_refined	0.006	0.02	4393
X-RAY DIFFRACTION	r_gen_planes_other
X-RAY DIFFRACTION	r_nbd_refined	0.195	0.2	2385
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined	0.296	0.2	3884
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.157	0.2	372
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	0.204	0.2	59
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.201	0.2	14
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	0.875	1.5	3772
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	1.24	2	5851
X-RAY DIFFRACTION	r_mcangle_other
X-RAY DIFFRACTION	r_scbond_it	2.211	3	2565
X-RAY DIFFRACTION	r_scbond_other
X-RAY DIFFRACTION	r_scangle_it	3.013	4.5	2176
X-RAY DIFFRACTION	r_scangle_other
X-RAY DIFFRACTION	r_long_range_B_refined
X-RAY DIFFRACTION	r_long_range_B_other
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

LS refinement shell

Resolution: 1.93→1.98 Å / Total num. of bins used: 20 /

	R_factor	Num. reflection
R_free	0.294	225
R_work	0.227	4277

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	3.059	0.1797	-0.9345	2.3363	-0.224	1.7956	0.1607	0.4364	0.3063	-0.2141	-0.2467	0.1062	-0.1308	-0.2698	0.0861	-0.0296	0.0107	0.0085	-0.0282	-0.0381	-0.1434	84.429	-45.684	3.087
2	3.2432	-1.4217	-1.9047	2.2451	1.379	4.1185	0.0136	-0.1322	0.1049	0.2119	0.0064	-0.0453	-0.0153	-0.1296	-0.0201	-0.124	-0.0211	-0.0175	-0.0802	-0.0404	-0.1292	77.913	-37.591	18.281
3	3.9136	-1.1094	-0.2029	7.0817	-3.3475	1.7238	-0.0303	-0.0643	0.0579	0.1639	-0.043	0.508	-0.2083	-0.7207	0.0732	-0.0565	-0.0231	0.0341	0.007	-0.0613	-0.0834	68.199	-42.054	15.199
4	5.9824	-2.237	-2.435	11.3065	2.7512	5.6249	0.0284	0.2381	0.0783	-0.2987	-0.0665	0.3032	-0.0707	-0.1844	0.038	-0.1594	-0.0284	-0.0326	-0.0341	-0.0081	-0.1582	74.586	-45.551	5.202
5	2.5589	-0.3355	0.7595	6.3724	5.81	6.6614	-0.1173	-0.0887	-0.1834	0.1005	-0.0046	0.0563	0.0855	-0.0797	0.1218	-0.0568	-0.0315	0.0177	-0.075	0.0138	-0.1009	78.179	-49.893	16.788
6	4.4571	-3.9555	-0.8509	6.2166	0.5899	0.9433	0.0024	-0.2841	0.3001	0.1223	0.1431	-0.4172	0.0241	0.1713	-0.1454	-0.1054	-0.0388	-0.0113	0.0012	-0.0076	-0.1002	91.763	-41.921	18.201
7	6.2324	-3.8117	0.9804	5.3679	0.1895	2.2812	-0.0117	-0.4392	0.5594	0.1606	0.1184	-0.9965	-0.0083	0.3106	-0.1068	-0.1001	-0.0403	0.0067	-0.0086	-0.0221	0.0482	97.053	-41.625	16.467
8	2.7179	1.1556	-0.8581	23.9023	0.6423	4.6356	-0.0422	0.1083	-0.1206	-0.5064	0.0022	-0.3194	0.3659	-0.0629	0.0401	-0.0955	-0.0091	0.0502	-0.0393	0.002	-0.13	87.209	-58.007	8.384
9	1.1417	-1.7565	-0.4507	12.287	6.1851	4.5366	-0.1626	-0.3798	0.1261	0.759	0.3634	-0.2405	0.3115	0.2359	-0.2008	-0.0287	-0.0472	-0.0078	0.0807	0.0079	-0.1166	91.596	-46.455	21.297
10	1.1376	2.2672	1.493	13.0391	6.9878	4.7336	0.054	-0.1246	-0.1766	0.4169	-0.1865	0.1913	0.364	-0.2155	0.1324	-0.0927	-0.0495	0.0526	-0.0623	-0.0186	-0.112	78.118	-49.281	15.411
11	7.7253	-0.4262	0.1419	5.5468	-0.4875	3.4261	-0.0203	0.3579	-0.2916	-0.1701	-0.1017	0.107	0.0668	0.3247	0.1219	-0.031	-0.0074	-0.034	0.0211	-0.0163	-0.2266	53.406	-18.43	-0.31
12	6.5791	-2.402	3.7863	2.3824	-2.0267	5.6058	-0.1003	-0.0424	-0.1783	0.0928	0.0003	-0.0156	0.2014	0.4055	0.0999	-0.1289	0.0395	0.0317	-0.0249	-0.0082	-0.0943	62.579	-27.208	11.425
13	13.9998	4.2388	-5.1531	4.2907	-1.265	19.775	-0.3623	-0.3651	0.5773	0.2095	0.2179	-0.3031	-0.3023	-0.0405	0.1443	0.0307	0.0033	-0.0888	0.1452	-0.1048	0.0135	66.289	-16.973	18.382
14	7.4499	-3.5332	3.5462	8.2675	-3.3576	6.0641	-0.0449	0.2163	0.1359	0.064	-0.2562	-0.4461	0.0428	0.5409	0.3011	-0.1336	-0.0115	0.0313	0.0791	-0.0013	-0.0844	66.961	-19.418	2.898
15	2.1273	0.2033	-0.2068	4.6939	-5.0625	8.1707	-0.1583	-0.1223	-0.0029	0.2739	0.0123	-0.1707	-0.3136	0.3209	0.146	-0.0369	-0.0031	-0.0053	0.0294	-0.0703	-0.0083	60.244	-14.354	12.085
16	7.1845	-3.0398	-0.1891	4.7982	0.0518	1.1361	0.0346	-0.1741	-0.354	0.1886	0.0718	0.6095	0.0238	-0.0706	-0.1064	-0.0868	0.0003	0.0353	-0.0249	-0.0175	-0.045	44.05	-22.298	14.269
17	7.6427	-1.8984	-1.5699	2.9363	1.0545	1.5503	-0.0475	-0.1749	-0.2297	0.1617	0.1536	0.2756	0.0395	0.0747	-0.1062	-0.1181	0.0062	-0.0063	-0.0624	-0.0252	-0.0797	47.706	-23.112	11.688
18	3.1053	1.4173	-1.3183	8.3746	-0.5012	5.1683	0.1803	-0.0767	0.1382	0.3158	-0.269	0.276	-0.5221	0.024	0.0886	-0.0418	-0.0191	-0.0066	-0.0396	-0.037	-0.1	49.055	-6.844	6.142
19	6.4402	-1.8626	-0.216	0.9145	1.3433	4.3723	-0.3675	-0.7204	-0.1934	0.3519	0.3	0.207	0.3084	-0.1234	0.0676	-0.0302	0.0677	0.0216	0.075	-0.0087	-0.0866	53.081	-24.027	20.418
20	8.0281	-0.8246	1.9396	14.2861	-8.2814	17.4538	0.3138	-0.2435	0.3232	0.5397	-0.2886	-0.1377	-1.0609	1.2289	-0.0251	-0.0301	-0.0895	0.0307	0.0347	-0.0786	-0.0369	62.408	-8.187	6.123
21	2.9415	1.622	-0.717	5.351	-1.4321	5.0215	-0.3582	-0.1359	0.0859	0.5244	0.442	0.57	-0.4127	-0.4531	-0.0838	0.0527	-0.0274	-0.0392	0.0854	0.015	-0.1273	47.042	-13.38	-7.993
22	3.4275	-1.4593	1.7067	2.5742	-0.9121	2.2537	-0.0715	-0.1145	-0.0209	-0.0348	0.1378	0.2848	-0.2404	-0.4952	-0.0662	-0.0292	-0.0093	-0.0059	0.0485	-0.0118	-0.0916	37.165	-10.07	-20.576
23	5.809	3.8949	1.5113	22.7215	14.7156	24.9234	-0.1795	0.4281	-0.3746	-0.1957	0.4162	-0.9679	0.2867	0.616	-0.2368	0.0243	0.0226	-0.0298	0.0882	0.0215	-0.0372	44.798	-8.021	-32.393
24	3.0102	0.255	1.4227	2.4946	-1.0822	5.0655	-0.1554	-0.0143	0.1841	0.0451	0.1475	0.0116	-0.3937	-0.2341	0.0079	-0.0262	0.0128	0.005	-0.0438	0.0028	-0.102	45.544	-4.781	-18.224
25	9.8267	-1.7879	-1.0735	0.5141	-0.8367	5.758	-0.8749	0.9639	-0.385	-1.4704	1.3557	-1.7779	-2.2647	0.7928	-0.4809	0.4248	0.0135	0.012	0.1557	0.051	0.4431	60.127	-8.706	-25.087
26	15.0586	6.4611	4.7168	11.1925	2.4647	8.3097	0.1057	0.2074	0.1845	-0.2795	-0.1213	-0.2597	-0.3656	0.1842	0.0157	-0.0297	-0.0122	0.0046	-0.0787	0.0003	-0.1111	56.081	-9.5	-18.877
27	6.9071	-1.2882	1.2789	5.8362	0.7737	4.9383	0.2412	0.0914	-1.0625	-0.2839	0.2109	-0.0028	1.0631	-0.0394	-0.4521	0.2716	-0.109	-0.0358	0.0172	-0.0165	0.0314	45.835	-27.031	-22.122
28	16.7097	0.436	2.361	0.6366	-0.248	2.1791	-0.2243	0.031	-0.3401	-0.1268	0.1709	-0.0015	0.1767	0.0448	0.0534	-0.0008	-0.0556	0.0256	-0.0643	0.0163	-0.0743	53.12	-18.137	-16.126
29	8.6277	-3.4623	2.3389	2.3733	-1.519	5.2703	0.2747	0.2669	-0.6019	-0.724	-0.1333	0.649	0.5662	0.0435	-0.1414	0.4201	-0.1236	-0.0776	0.0642	-0.0867	-0.0117	42.567	-23.322	-29.174
30	7.4274	2.4041	4.4683	2.2357	0.7227	5.8918	-0.1188	0.1069	0.0647	-0.2481	0.1292	-0.1303	-0.4509	0.0599	-0.0104	-0.0187	-0.0408	0.0083	-0.0788	-0.003	-0.0912	50.186	-8.481	-20.983
31	23.42	10.4962	4.6281	10.508	0.4963	13.2769	-0.0185	0.4861	-1.4776	-0.0912	0.3706	-0.9801	0.2125	2.2781	-0.352	0.4586	0.1384	0.0384	0.5451	-0.0952	0.2338	20.619	-0.6	-2.815
32	4.4597	-3.7239	-1.186	4.9341	1.6192	3.506	-0.0343	-0.012	0.5814	0.1486	0.1036	-0.5241	0.0558	0.6281	-0.0692	-0.0687	0.0456	0.0193	0.089	0.0334	0.0157	22.649	12.926	-9.284
33	10.9086	-1.9586	0.5003	8.4598	-1.5367	8.6085	0.6031	0.7905	-0.1384	-0.9822	-0.622	-0.3498	0.1776	0.4542	0.0189	0.3609	0.2688	0.0495	0.4144	-0.0808	-0.0409	21.159	2.077	-26.733
34	5.0019	-1.3258	-0.94	2.9168	-0.2147	5.1086	0.2667	0.4467	-0.3064	-0.2339	-0.189	-0.0132	0.4331	0.445	-0.0777	0.01	0.1671	-0.0355	0.0528	-0.0651	-0.0471	17.832	1.99	-13.626
35	20.808	15.4656	-7.7672	17.9928	-8.4912	11.284	-0.2733	0.7871	-0.8182	-0.6006	-0.1219	-0.7078	0.4694	-0.0876	0.3953	0.2503	0.1598	-0.0307	0.4116	0.0306	0.2172	2.505	10.953	-20.213
36	15.4684	-1.6872	-7.319	5.144	-1.5174	7.6415	0.3421	0.3553	-0.3143	-0.3445	-0.1312	0.157	0.0824	-0.0255	-0.2109	0.0305	0.1166	-0.0479	-0.032	-0.003	-0.0545	9.096	7.698	-13.128
37	8.8202	-4.9226	0.2876	8.2115	-0.7248	2.0187	0.1894	0.461	1.5624	-0.2407	-0.065	-0.8827	-0.6616	0.3748	-0.1244	0.1909	-0.0075	0.0778	0.2128	0.1849	0.2637	19.893	24.5	-18.85
38	9.5963	-0.5915	-2.5955	2.1742	0.4058	2.7717	0.0872	0.4562	0.45	-0.1469	0.0382	-0.2325	-0.2214	0.0563	-0.1253	0.0083	0.0389	0.0097	0.0084	0.0481	-0.0146	12.308	17.872	-12.695
39	4.714	-3.8264	0.156	5.69	-1.2788	6.6537	0.6249	0.9088	0.7569	-0.8345	-0.6318	-0.7758	-0.3094	0.7769	0.0069	0.1493	0.1873	0.1488	0.3756	0.1352	0.0383	21.735	15.033	-24.145
40	19.5865	1.9055	-7.2226	10.9015	0.5111	8.8249	-0.0431	0.5072	-0.5573	-0.4953	0.038	0.7779	0.1483	-0.206	0.0052	0.0002	0.083	-0.0967	-0.035	-0.0446	-0.0055	6.759	3.233	-11.729

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	28 - 51
2	X-RAY DIFFRACTION	2	A	52 - 99
3	X-RAY DIFFRACTION	3	A	100 - 108
4	X-RAY DIFFRACTION	4	A	109 - 123
5	X-RAY DIFFRACTION	5	A	124 - 165
6	X-RAY DIFFRACTION	6	A	166 - 184
7	X-RAY DIFFRACTION	7	A	185 - 210
8	X-RAY DIFFRACTION	8	A	211 - 220
9	X-RAY DIFFRACTION	9	A	221 - 236
10	X-RAY DIFFRACTION	10	A	237 - 249
11	X-RAY DIFFRACTION	11	B	28 - 51
12	X-RAY DIFFRACTION	12	B	52 - 73
13	X-RAY DIFFRACTION	13	B	74 - 102
14	X-RAY DIFFRACTION	14	B	103 - 123
15	X-RAY DIFFRACTION	15	B	124 - 166
16	X-RAY DIFFRACTION	16	B	167 - 194
17	X-RAY DIFFRACTION	17	B	195 - 211
18	X-RAY DIFFRACTION	18	B	212 - 227
19	X-RAY DIFFRACTION	19	B	228 - 241
20	X-RAY DIFFRACTION	20	B	242 - 249
21	X-RAY DIFFRACTION	21	C	28 - 50
22	X-RAY DIFFRACTION	22	C	51 - 74
23	X-RAY DIFFRACTION	23	C	75 - 100
24	X-RAY DIFFRACTION	24	C	101 - 135
25	X-RAY DIFFRACTION	25	C	152 - 156
26	X-RAY DIFFRACTION	26	C	157 - 166
27	X-RAY DIFFRACTION	27	C	167 - 202
28	X-RAY DIFFRACTION	28	C	203 - 226
29	X-RAY DIFFRACTION	29	C	227 - 236
30	X-RAY DIFFRACTION	30	C	237 - 249
31	X-RAY DIFFRACTION	31	D	28 - 38
32	X-RAY DIFFRACTION	32	D	39 - 67
33	X-RAY DIFFRACTION	33	D	68 - 100
34	X-RAY DIFFRACTION	34	D	101 - 135
35	X-RAY DIFFRACTION	35	D	140 - 155
36	X-RAY DIFFRACTION	36	D	156 - 167
37	X-RAY DIFFRACTION	37	D	168 - 195
38	X-RAY DIFFRACTION	38	D	196 - 227
39	X-RAY DIFFRACTION	39	D	228 - 242
40	X-RAY DIFFRACTION	40	D	243 - 249

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