PDB-5v10: Crystal structure of the putative tol-pal system-associated acyl-...

ID or keywords:

Entry

Database: PDB / ID: 5v10

Title

Crystal structure of the putative tol-pal system-associated acyl-CoA thioesterase from Pseudomonas aeruginosa PAO1

Components

Uncharacterized protein

Keywords

STRUCTURAL GENOMICS / UNKNOWN FUNCTION / order-disorder / Center for Structural Genomics of Infectious Diseases (CSGID)

Function / homology

Function and homology information

fatty acyl-CoA hydrolase activity
Similarity search - Function

Biological species

Pseudomonas aeruginosa (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.9 Å

Authors

Borek, D. / Wawrzak, Z. / Grimshaw, S. / Sandoval, J. / Evdokimova, E. / Savchenko, A. / Anderson, W.F. / Center for Structural Genomics of Infectious Diseases (CSGID)

Funding support

United States, 2items

Organization	Grant number	Country
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)	HHSN272200700058C	United States
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)	HHSN272201200026C	United States

Citation

Journal: To Be Published
Title: Crystal structure of the putative tol-pal system-associated acyl-CoA thioesterase from Pseudomonas aeruginosa PAO1
Authors: Borek, D. / Wawrzak, Z. / Grimshaw, S. / Sandoval, J. / Evdokimova, E. / Savchenko, A. / Anderson, W.F. / Center for Structural Genomics of Infectious Diseases (CSGID)

History

Deposition	Feb 28, 2017	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Mar 22, 2017	Provider: repository / Type: Initial release
Revision 1.1	Dec 18, 2019	Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.2	Oct 4, 2023	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ncs_dom_lim Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5v10.cif.gz	129.9 KB	Display	PDBx/mmCIF format
PDB format	pdb5v10.ent.gz	101.5 KB	Display	PDB format
PDBx/mmJSON format	5v10.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	5v10_validation.pdf.gz	442.8 KB	Display	wwPDB validaton report
Full document	5v10_full_validation.pdf.gz	445.3 KB	Display
Data in XML	5v10_validation.xml.gz	13.2 KB	Display
Data in CIF	5v10_validation.cif.gz	17.4 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/v1/5v10 ftp://data.pdbj.org/pub/pdb/validation_reports/v1/5v10	HTTPS FTP

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Related structure data

Related structure data	1s5uS S: Starting model for refinement
Similar structure data	1s5u-1 4k00-1 1s5u-2 2oaf-1 6nbl-2 2xem-d 6nbl-1 4udy-d 5fle-d 1su7-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
Other databases	TargetTrack: CSGID-IDP95660

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#90 - Jun 2007 Fatty Acid Synthase similarity (1)

Deposited unit

A: Uncharacterized protein

B: Uncharacterized protein

hetero molecules

34 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Uncharacterized protein

B: Uncharacterized protein

hetero molecules

A: Uncharacterized protein

B: Uncharacterized protein

hetero molecules

defined by author&software
Evidence: homology, Determined by Pisa
68.1 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	97.994, 62.279, 52.792
Angle α, β, γ (deg.)	90.00, 112.52, 90.00
Int Tables number	5
Space group name H-M	C121

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
2	1	B

NCS domain segments:

Component-ID: _ / Ens-ID: 1 / Beg auth comp-ID: PRO / Beg label comp-ID: PRO / End auth comp-ID: PHE / End label comp-ID: PHE / Refine code: _ / Auth seq-ID: 9 - 137 / Label seq-ID: 12 - 140

Dom-ID	Auth asym-ID	Label asym-ID
1	A	A
2	B	B

#1: Protein	Uncharacterized protein Mass: 16968.191 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) (bacteria) Strain: ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1 Gene: PA0968 / Plasmid: pMCSG53 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)-Magic / References: UniProt: Q9I4Z5
#2: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Cl
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 78 / 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: 2.23 Å³/Da / Density % sol: 44.8 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7 / Details: 0.1 M Succinic Acid pH 7.0, 15 % PEG3350

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 21-ID-G / Wavelength: 0.97856 Å
Detector	Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Aug 20, 2016
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97856 Å / Relative weight: 1
Reflection	Resolution: 1.9→51.31 Å / Num. obs: 21234 / % possible obs: 91.5 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 4 % / R_merge(I) obs: 0.101 / R_pim(I) all: 0.049 / Net I/σ(I): 13.9
Reflection shell	Resolution: 1.9→1.93 Å / Redundancy: 2.4 % / R_merge(I) obs: 0.468 / Mean I/σ(I) obs: 2.1 / Num. unique obs: 659 / CC_1/2: 0.82 / R_pim(I) all: 0.305 / % possible all: 57.5

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Processing

Software

Name	Version	Classification
REFMAC	5.8.0158	refinement
HKL-3000		data reduction
HKL-3000		data scaling
MOLREP		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 1S5U

1s5u

Resolution: 1.9→51.31 Å / Cor.coef. F_o:F_c: 0.924 / Cor.coef. F_o:F_c free: 0.875 / SU B: 9.692 / SU ML: 0.141 / Cross valid method: THROUGHOUT / ESU R: 0.233 / ESU R Free: 0.21
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. THE AUTHORS STATE THAT THE R-FREE FACTOR VALUES ARE HIGHER DUE TO ORDER-DISORDER PRESENT IN THE CRYSTAL LATTICE. THEY DECIDED NOT TO MODEL ...

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.28308	952	5.1 %	RANDOM
R_work	0.21991	-	-	-
obs	0.22315	17785	80.75 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å

Displacement parameters

B_iso mean: 32.493 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.66 Å²	0 Å²	-0.1 Å²
2-	-	-0.35 Å²	0 Å²
3-	-	-	0.81 Å²

Refinement step

Cycle: 1 / Resolution: 1.9→51.31 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	2177	0	3	78	2258

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.015	0.019	2227
X-RAY DIFFRACTION	r_bond_other_d	0.002	0.02	2112
X-RAY DIFFRACTION	r_angle_refined_deg	1.649	1.961	3004
X-RAY DIFFRACTION	r_angle_other_deg	1.021	3	4839
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.811	5	271
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	32.876	21.949	118
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	15.006	15	380
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	15.295	15	31
X-RAY DIFFRACTION	r_chiral_restr	0.105	0.2	327
X-RAY DIFFRACTION	r_gen_planes_refined	0.008	0.02	2514
X-RAY DIFFRACTION	r_gen_planes_other	0.002	0.02	525
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	8.708	1.829	1086
X-RAY DIFFRACTION	r_mcbond_other	8.706	1.826	1085
X-RAY DIFFRACTION	r_mcangle_it	11.462	2.692	1357
X-RAY DIFFRACTION	r_mcangle_other	11.458	2.695	1358
X-RAY DIFFRACTION	r_scbond_it	11.585	2.505	1140
X-RAY DIFFRACTION	r_scbond_other	11.583	2.508	1141
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	14.731	3.435	1648
X-RAY DIFFRACTION	r_long_range_B_refined	17.74	22.827	2372
X-RAY DIFFRACTION	r_long_range_B_other	17.744	22.811	2366
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

Refine LS restraints NCS

Ens-ID: 1 / Number: 7746 / Refine-ID: X-RAY DIFFRACTION / Type: interatomic distance / Rms dev position: 0.1 Å / Weight position: 0.05

Dom-ID	Auth asym-ID
1	A
2	B

LS refinement shell

Resolution: 1.901→1.95 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.336	21	-
R_work	0.211	439	-
obs	-	-	26.92 %

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	9.6866	0.7097	0.4019	1.9563	-2.7443	4.0602	-0.2366	-0.1404	0.3819	-0.095	0.1076	-0.0538	0.0942	-0.1607	0.129	0.049	-0.0435	0.0149	0.0968	-0.0408	0.031	-21.4811	-7.6328	-5.7736
2	1.044	0.2888	2.7486	4.7966	0.6188	7.2414	-0.0609	-0.068	0.008	-0.2929	0.0537	0.3525	-0.1504	-0.1743	0.0073	0.048	0.0011	-0.0202	0.0962	0.0146	0.0659	-28.3906	-1.9031	5.6278
3	0.2103	0.1375	1.2991	0.1721	1.0344	8.4438	-0.0265	-0.0424	-0.0396	0.0338	0.102	0.0444	-0.08	0.0137	-0.0755	0.1173	0.0802	0.0696	0.2056	0.0949	0.1003	-24.5658	4.2095	16.9924
4	0.5348	-0.9612	0.4781	1.7279	-0.8595	0.4362	-0.1246	-0.0543	0.019	0.2329	0.0999	-0.0379	-0.1554	-0.0665	0.0247	0.2418	0.0625	-0.008	0.1024	0.0112	0.0358	-15.1124	7.1647	23.9696
5	0.7303	0.2789	1.4915	1.8502	1.0573	3.2078	-0.0675	-0.0107	-0.0026	-0.0453	0.0591	-0.0586	-0.2068	-0.0024	0.0085	0.1519	-0.0215	-0.0111	0.0597	-0.0056	0.0618	-10.6791	4.5155	16.447
6	1.992	1.651	0.3991	1.7803	0.495	0.1501	0.075	0.1315	-0.0943	-0.0031	-0.0462	-0.1162	0.0053	-0.0503	-0.0287	0.0717	-0.0179	0.0088	0.1182	-0.0241	0.067	-21.7377	-8.031	11.1161
7	8.7865	-2.5969	0.6088	4.6481	-3.2995	2.5604	-0.2985	0.2765	-0.1885	0.0942	0.3224	0.0197	-0.0031	-0.331	-0.0239	0.1029	-0.0512	-0.0527	0.0959	0.0274	0.1085	-23.828	-18.9696	12.8934
8	10.3983	-1.4602	-5.6598	5.7297	-1.0829	3.7201	-0.4692	0.0848	-0.2562	0.0515	0.3714	0.114	0.2541	-0.1742	0.0978	0.1231	-0.0239	-0.0015	0.0398	-0.0222	0.1041	-18.1666	-23.1554	12.2006
9	9.1856	7.6348	-1.4208	7.1985	-0.6078	0.6064	-0.0463	0.128	-0.0364	0.1056	0.0967	-0.097	0.1019	-0.0228	-0.0504	0.0469	-0.0072	-0.0117	0.0567	-0.0196	0.0701	-9.4299	-12.5345	8.19
10	3.8917	-5.1525	-0.561	8.3155	-0.0944	0.5635	0.241	0.0953	0.1302	-0.2789	-0.1038	-0.005	-0.0947	-0.0084	-0.1372	0.1263	-0.0497	0.046	0.0687	0.006	0.0978	-9.862	5.5603	5.5875
11	2.346	0.4712	0.9422	0.8429	-0.3582	0.7824	-0.341	0.1131	0.0721	0.2041	0.2511	-0.0424	-0.3578	-0.1084	0.09	0.2435	0.0645	-0.0265	0.0848	0.0173	0.0598	-20.4804	9.8817	16.1712
12	1.0747	-1.925	-3.1652	5.8841	5.8006	9.332	-0.0387	-0.0098	0.006	-0.0287	0.0444	0.1042	0.0949	0.0337	-0.0057	0.0532	-0.0093	-0.0189	0.08	-0.0066	0.0463	-19.6219	-4.5183	2.594
13	4.8987	-3.4704	2.1215	9.5598	-0.3455	1.1175	0.1691	0.5214	-0.1308	-0.039	-0.1206	0.0125	0.0753	0.255	-0.0485	0.0607	0.0145	-0.0059	0.0852	-0.0505	0.0608	-13.6761	-17.3392	-2.5808
14	1.7061	-2.6665	-0.3492	5.0718	-0.0268	0.4522	0.0785	0.179	0.006	-0.2428	-0.0274	0.0301	0.0283	-0.1971	-0.0511	0.0729	-0.0188	0.0197	0.0989	-0.0081	0.0744	-15.48	-5.2036	2.6653
15	6.161	-3.192	-0.7044	1.6763	0.3605	0.0817	-0.1293	-0.062	0.2425	0.081	0.1366	-0.1132	0.0194	-0.0094	-0.0073	0.0846	0.0232	0.0161	0.326	0.0505	0.0752	-23.1381	10.5703	8.8091
16	1.8392	-2.4265	0.3171	4.0764	0.0029	0.8532	-0.0614	0.1151	0.0668	-0.0434	0.1897	-0.2132	-0.0936	0.0035	-0.1284	0.0522	-0.0369	0.0244	0.1986	-0.012	0.0577	-14.3507	0.9525	4.7884
17	1.1359	-2.2751	0.843	6.3457	-0.3828	1.5832	-0.0567	0.0077	0.0317	0.2001	-0.0428	0.0003	-0.0151	-0.0246	0.0995	0.1089	0.0107	-0.0784	0.012	-0.0346	0.1361	-11.8671	-23.7484	9.6092
18	0.5612	-1.0186	-0.8976	3.8774	-1.1083	5.177	-0.0786	-0.0746	0.0878	-0.0533	0.0852	-0.2961	0.3944	0.209	-0.0066	0.0571	0.0155	-0.0287	0.0221	-0.0294	0.1035	-9.1088	-25.3353	8.8826
19	9.1754	-1.5831	1.0945	1.1036	1.3594	3.017	0.4343	-0.223	-0.0303	-0.0955	-0.0722	-0.1855	0.0152	-0.2285	-0.3621	0.1133	-0.0131	-0.0285	0.1092	-0.0287	0.0904	-21.4872	-20.3112	0.6645
20	7.4502	7.147	-0.0264	8.3911	-4.2325	11.5321	-0.2213	0.3518	-0.0269	-0.0438	0.4491	0.0581	-0.4557	-0.3079	-0.2279	0.0488	-0.0091	0.0342	0.0868	-0.0896	0.1512	-28.4852	-15.8894	-0.1022
21	0.5703	2.2768	-0.8989	9.64	-3.7825	1.5636	0.0545	-0.1067	-0.0722	0.0837	-0.2154	-0.2602	-0.0083	0.2322	0.1609	0.0404	-0.0023	0.0133	0.3357	0.1064	0.0581	11.4128	-2.3802	19.6983
22	0.3086	0.5846	-0.1342	1.2101	-0.5958	1.2575	0.1687	-0.0886	0.0015	0.2651	-0.1003	-0.003	0.3708	-0.2954	-0.0684	0.3523	-0.1352	-0.0266	0.1865	0.0025	0.0454	-0.52	-9.5054	28.322
23	2.8877	0.5729	3.3837	3.1974	0.6471	3.9659	0.1939	-0.1764	-0.0975	-0.2708	-0.0708	0.1295	0.2325	-0.1992	-0.1232	0.1289	-0.0233	-0.002	0.0772	-0.0322	0.0446	-6.767	-14.1165	21.831
24	1.217	-0.9121	-1.2189	0.8605	0.185	4.3588	0.0476	0.0051	0.0614	-0.051	0.0189	-0.0305	0.174	-0.0444	-0.0665	0.136	0.0119	0.0392	0.0545	-0.007	0.0688	-5.6581	-7.7983	17.1979
25	0.7941	-0.5061	0.1881	1.2538	0.4895	0.4468	0.0685	0.1007	-0.0925	-0.0509	-0.0463	0.0676	0.0001	0.0568	-0.0223	0.0621	-0.057	0.0173	0.1289	-0.0097	0.0587	-0.1576	-0.5812	18.6456
26	2.9198	1.0856	4.9368	0.4053	1.8366	8.3511	-0.1061	0.2882	0.0171	-0.0369	0.0891	0.0098	-0.19	0.4789	0.017	0.117	-0.0263	0.0438	0.1551	-0.0107	0.0467	7.5122	6.508	17.3113
27	2.7994	-1.5004	-1.3315	11.7358	-0.7494	0.8426	-0.8736	-1.0156	0.3543	-0.3803	0.9825	-0.3743	0.4765	0.4759	-0.1089	0.5628	0.0681	-0.2315	0.5931	-0.0047	0.1351	9.7512	12.5095	21.3316
28	10.5849	-5.0933	5.0971	3.9339	0.5168	8.4087	-0.4008	-0.0275	0.4841	0.1432	0.0955	-0.1904	-0.321	0.177	0.3053	0.1431	-0.1019	-0.0188	0.0873	-0.0163	0.1091	4.4025	20.0774	20.4673
29	5.1682	2.5452	5.3637	1.8651	1.7807	6.9354	-0.5304	0.3508	0.5621	-0.182	0.1606	0.4629	-0.4895	0.3545	0.3698	0.2427	-0.0395	0.0322	0.0778	0.0585	0.1524	-1.4073	13.451	12.9729
30	1.6068	-2.9606	0.766	5.4609	-1.3228	2.9365	0.0652	0.1112	-0.0644	-0.1013	-0.1862	0.1297	0.2137	0.2068	0.1209	0.0375	0.0242	0.0072	0.111	-0.0284	0.0779	-1.2014	-7.4858	8.5165
31	0.5047	0.9941	0.1536	2.9245	0.5677	0.173	0.0178	0.0943	-0.0953	0.0499	0.0133	-0.1344	0.081	0.0835	-0.0311	0.1449	0.1062	-0.0308	0.2623	-0.0434	0.0317	5.0146	-10.1644	21.5628
32	0.1235	-0.9953	-0.0832	13.6721	-1.7347	1.2291	0.0802	-0.0114	-0.0246	-0.1633	-0.2636	-0.0765	-0.2173	0.2625	0.1834	0.1102	-0.0187	-0.0155	0.1167	0.033	0.0551	8.0166	10.7908	4.8457
33	2.0743	-2.3399	0.8864	6.5039	-4.7754	4.07	0.1993	0.0818	0.0757	0.0639	-0.2605	-0.1096	-0.1939	0.2186	0.0612	0.0502	-0.0084	0.0293	0.1281	-0.0067	0.0578	5.1801	6.3264	7.0167
34	2.1375	0.3582	-1.448	2.9962	-5.1328	9.1264	0.0925	0.0226	-0.0757	-0.1737	-0.2385	-0.0706	0.2541	0.4031	0.146	0.0511	0.0264	0.0044	0.1151	-0.0434	0.0507	7.7843	-10.2985	15.3129
35	4.1104	-1.4838	4.7833	9.1847	-5.4904	7.2044	0.1853	0.2492	-0.199	-0.2502	-0.0069	-0.0391	0.2943	0.2537	-0.1784	0.0656	0.0545	0.0144	0.0798	-0.0121	0.0301	8.1452	-13.9505	14.7151
36	0.7368	-1.5107	0.3763	8.8875	-1.0492	0.2761	0.0632	0.193	0.0683	-0.301	-0.0474	-0.2136	0.0523	0.1356	-0.0157	0.0464	0.0085	0.0051	0.1182	-0.0215	0.0613	2.0177	-1.8581	7.5995
37	0.4132	-1.2786	1.0067	3.9584	-3.1172	2.455	-0.1945	-0.0481	0.0109	0.6051	0.1605	-0.0396	-0.473	-0.1281	0.0339	0.1584	-0.0332	0.0223	0.0881	0.0216	0.0825	-0.7506	15.7246	9.8197
38	0.0626	-0.4533	0.0445	3.5355	-0.3084	0.0336	-0.0334	-0.0176	-0.0375	0.1646	0.0669	0.0964	-0.0398	-0.0197	-0.0335	0.1587	0.0563	0.0489	0.0545	0.0434	0.1474	-5.5977	22.7631	12.8148
39	1.7171	-0.705	-1.9682	0.2896	0.8084	2.2574	0.1767	-0.1146	0.183	-0.0709	0.0447	-0.0792	-0.1951	0.1208	-0.2214	0.0649	-0.0781	-0.0433	0.1017	0.0748	0.1841	6.4566	20.8424	9.9893
40	4.0158	4.8039	1.0865	7.8347	4.4045	4.9121	0.4041	0.0534	-0.0066	0.2116	-0.3673	-0.0289	-0.2977	-0.6164	-0.0368	0.12	-0.0066	-0.0487	0.2191	0.0548	0.0925	13.0085	15.4777	10.3563

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	2 - 7
2	X-RAY DIFFRACTION	2	A	8 - 12
3	X-RAY DIFFRACTION	3	A	13 - 16
4	X-RAY DIFFRACTION	4	A	17 - 23
5	X-RAY DIFFRACTION	5	A	24 - 34
6	X-RAY DIFFRACTION	6	A	35 - 48
7	X-RAY DIFFRACTION	7	A	49 - 54
8	X-RAY DIFFRACTION	8	A	55 - 60
9	X-RAY DIFFRACTION	9	A	61 - 66
10	X-RAY DIFFRACTION	10	A	67 - 72
11	X-RAY DIFFRACTION	11	A	73 - 81
12	X-RAY DIFFRACTION	12	A	82 - 87
13	X-RAY DIFFRACTION	13	A	88 - 92
14	X-RAY DIFFRACTION	14	A	93 - 100
15	X-RAY DIFFRACTION	15	A	101 - 105
16	X-RAY DIFFRACTION	16	A	106 - 116
17	X-RAY DIFFRACTION	17	A	117 - 122
18	X-RAY DIFFRACTION	18	A	123 - 127
19	X-RAY DIFFRACTION	19	A	128 - 136
20	X-RAY DIFFRACTION	20	A	137 - 142
21	X-RAY DIFFRACTION	21	B	9 - 14
22	X-RAY DIFFRACTION	22	B	15 - 19
23	X-RAY DIFFRACTION	23	B	20 - 26
24	X-RAY DIFFRACTION	24	B	27 - 32
25	X-RAY DIFFRACTION	25	B	33 - 39
26	X-RAY DIFFRACTION	26	B	40 - 44
27	X-RAY DIFFRACTION	27	B	45 - 52
28	X-RAY DIFFRACTION	28	B	53 - 58
29	X-RAY DIFFRACTION	29	B	59 - 64
30	X-RAY DIFFRACTION	30	B	65 - 73
31	X-RAY DIFFRACTION	31	B	74 - 84
32	X-RAY DIFFRACTION	32	B	85 - 91
33	X-RAY DIFFRACTION	33	B	92 - 98
34	X-RAY DIFFRACTION	34	B	99 - 103
35	X-RAY DIFFRACTION	35	B	104 - 109
36	X-RAY DIFFRACTION	36	B	110 - 114
37	X-RAY DIFFRACTION	37	B	115 - 120
38	X-RAY DIFFRACTION	38	B	121 - 126
39	X-RAY DIFFRACTION	39	B	127 - 131
40	X-RAY DIFFRACTION	40	B	132 - 138

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