PDB-3opk: Crystal structure of divalent-cation tolerance protein CutA from ...

ID or keywords:

Entry

Database: PDB / ID: 3opk

Title

Crystal structure of divalent-cation tolerance protein CutA from Salmonella enterica subsp. enterica serovar Typhimurium str. LT2

Components

Divalent-cation tolerance protein cutA

Keywords

METAL BINDING PROTEIN / CSGID / Structural Genomics / Center for Structural Genomics of Infectious Diseases / CutA / divalent ions binding

Function / homology

Function and homology information

response to metal ion / copper ion binding / cytoplasm
Similarity search - Function

Biological species

Salmonella enterica subsp. enterica serovar Typhimurium (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.9 Å

Authors

Nocek, B. / Mulligan, R. / Papazisi, L. / Anderson, W. / Joachimiak, A. / Center for Structural Genomics of Infectious Diseases (CSGID)

Citation

Journal: TO BE PUBLISHED
Title: Crystal structure of divalent-cation tolerance protein CutA from Salmonella enterica subsp. enterica serovar Typhimurium str. LT2
Authors: Nocek, B. / Mulligan, R. / Papazisi, L. / Anderson, W. / Joachimiak, A.

History

Deposition	Sep 1, 2010	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Oct 6, 2010	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Version format compliance
Revision 1.2	Sep 6, 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_auth_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_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	3opk.cif.gz	147.5 KB	Display	PDBx/mmCIF format
PDB format	pdb3opk.ent.gz	118.7 KB	Display	PDB format
PDBx/mmJSON format	3opk.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	3opk_validation.pdf.gz	455.4 KB	Display	wwPDB validaton report
Full document	3opk_full_validation.pdf.gz	458.3 KB	Display
Data in XML	3opk_validation.xml.gz	15.5 KB	Display
Data in CIF	3opk_validation.cif.gz	22 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/op/3opk ftp://data.pdbj.org/pub/pdb/validation_reports/op/3opk	HTTPS FTP

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Related structure data

Related structure data	3gsdS S: Starting model for refinement
Similar structure data	2x1e-1 2x1c-1 6ekw-d 6vp5-2 6eky-d 3htw-d 3ur8-1 4qa1-1 4qa2-2 4tuf-4 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	TargetDB: IDP01083

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: Divalent-cation tolerance protein cutA

B: Divalent-cation tolerance protein cutA

C: Divalent-cation tolerance protein cutA

hetero molecules

39.1 kDa, 3 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)	62.333, 107.925, 52.177
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	18
Space group name H-M	P2₁2₁2

#1: Protein	Divalent-cation tolerance protein cutA Mass: 12963.750 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Salmonella enterica subsp. enterica serovar Typhimurium (bacteria) Strain: LT2 / Gene: cutA, STM4324 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)-Magic / References: UniProt: Q7CPA2
#2: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Na
#3: Chemical	ChemComp-ACT / ACETATE ION Mass: 59.044 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₂H₃O₂
#4: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Mg
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 148 / 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: 2.26 Å³/Da / Density % sol: 45.49 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion, sitting drop / pH: 7 Details: 2.8 M sodium Acetate, 10mM ADP, 1mM Magnesium chloride, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.9794 Å
Detector	Type: ADSC QUANTUM 315r / Detector: CCD / Date: Aug 20, 2010 / Details: mirrors
Radiation	Monochromator: double crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9794 Å / Relative weight: 1
Reflection	Resolution: 1.9→40 Å / Num. all: 28230 / Num. obs: 28212 / % possible obs: 99.4 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Redundancy: 3.5 % / R_merge(I) obs: 0.106 / Net I/σ(I): 13.7
Reflection shell	Resolution: 1.9→1.93 Å / Redundancy: 2.9 % / R_merge(I) obs: 0.514 / Mean I/σ(I) obs: 2 / % possible all: 95.7

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Processing

Software

Name	Version	Classification
SBC-Collect		data collection
MOLREP		phasing
CCP4		model building
REFMAC	5.5.0109	refinement
HKL-3000		data reduction
HKL-3000		data scaling
CCP4		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 3GSD

3gsd

Resolution: 1.9→30 Å / Cor.coef. F_o:F_c: 0.953 / Cor.coef. F_o:F_c free: 0.934 / SU B: 6.975 / SU ML: 0.094 / Cross valid method: THROUGHOUT / σ(F): 2 / σ(I): 2 / ESU R Free: 0.136 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.21867	1413	5 %	RANDOM
R_work	0.17523	-	-	-
all	0.18	27030	-	-
obs	0.17744	26615	98.8 %	-

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: 16.591 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-1.03 Å²	0 Å²	0 Å²
2-	-	0.01 Å²	0 Å²
3-	-	-	1.02 Å²

Refinement step

Cycle: LAST / Resolution: 1.9→30 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	2561	0	10	148	2719

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.023	0.022	2638
X-RAY DIFFRACTION	r_bond_other_d	0.007	0.02	1632
X-RAY DIFFRACTION	r_angle_refined_deg	1.867	1.987	3621
X-RAY DIFFRACTION	r_angle_other_deg	1.341	3	4085
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.649	5	344
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	42.468	26.289	97
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	15.021	15	434
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	27.734	15	3
X-RAY DIFFRACTION	r_chiral_restr	0.115	0.2	452
X-RAY DIFFRACTION	r_gen_planes_refined	0.009	0.021	2908
X-RAY DIFFRACTION	r_gen_planes_other	0.002	0.02	435
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	1.146	1.5	1716
X-RAY DIFFRACTION	r_mcbond_other	0.309	1.5	669
X-RAY DIFFRACTION	r_mcangle_it	1.977	2	2769
X-RAY DIFFRACTION	r_scbond_it	3.235	3	922
X-RAY DIFFRACTION	r_scangle_it	5.061	4.5	848
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

LS refinement shell

Resolution: 1.902→1.951 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.334	89	-
R_work	0.252	1837	-
obs	-	-	94.09 %

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	4.5367	3.2449	-0.9596	5.055	-0.1093	0.8732	0.0883	-0.2013	-0.0829	0.1396	-0.0802	0.0118	0.0186	0.0103	-0.0081	0.2472	0.0084	-0.0231	0.2702	0.0007	0.2604	39.3777	21.1507	65.2566
2	5.6427	1.8304	-1.199	0.9443	-1.6154	4.8675	0.1809	-0.1587	-0.2096	0.1436	-0.2491	-0.0878	-0.3381	0.2925	0.0682	0.2613	-0.0465	-0.0171	0.3001	0.0247	0.3121	52.0773	29.1436	67.5063
3	3.1512	1.9632	-2.7851	5.1946	-5.1409	10.5287	0.1202	-0.2052	0.2834	0.4061	-0.1269	0.3052	-0.6145	0.093	0.0067	0.3155	-0.0325	-0.0016	0.2965	0.0023	0.258	46.1758	27.9191	74.6502
4	1.5239	-0.6421	-0.6666	2.282	-2.2966	3.1591	-0.1316	-0.0737	-0.1734	0.2502	0.0482	0.0659	-0.1375	0.0184	0.0834	0.3164	-0.0247	0.0123	0.2939	-0.0057	0.2081	41.4488	22.3718	78.3913
5	1.4228	1.1677	-1.5061	0.9248	-1.1944	2.4001	-0.0115	-0.0842	-0.0467	-0.0025	-0.0656	-0.0796	0.0303	0.0462	0.0771	0.2674	0.0118	-0.0106	0.2642	0.0034	0.2764	48.2854	21.6047	63.8528
6	8.8412	-2.6794	2.4464	6.1906	-4.2009	2.703	-0.4655	0.2432	0.343	0.59	0.37	-0.0023	-0.4916	-0.0859	0.0955	0.3438	0.0366	-0.0616	0.2553	0.0353	0.2959	40.726	36.3531	49.3999
7	24.1667	-8.3104	12.518	3.6408	-4.3239	6.3775	-0.4625	-0.0242	0.5606	0.3993	0.2101	0.0688	-0.3377	-0.0257	0.2524	0.3155	0.057	0.03	0.2027	0.0831	0.321	45.0384	37.5951	49.1279
8	2.7801	3.0458	-2.6083	3.3836	-2.4735	3.1846	0.1044	-0.0175	-0.0311	0.0963	-0.0704	-0.0299	-0.0622	-0.0497	-0.0339	0.2507	0.0017	-0.0063	0.2697	0.0073	0.2723	44.3912	23.274	63.7519
9	1.761	1.561	-0.6895	3.5144	-0.8653	1.7064	0.0846	-0.0496	0.0202	0.1882	-0.0863	0.0842	-0.0961	-0.1471	0.0017	0.2691	0.0011	0.0101	0.2887	-0.0173	0.2569	33.6984	23.9333	72.2522
10	6.2578	1.9797	1.7883	4.3492	-1.523	1.1881	0.0327	-0.2138	0.0662	0.1489	-0.1706	-0.0935	-0.1007	-0.0121	0.1379	0.2829	-0.0077	-0.0085	0.2612	-0.0381	0.2541	41.2723	34.5647	68.8117
11	7.9236	3.3854	3.5889	4.0034	0.3709	1.5086	-0.0312	-0.1385	0.1722	-0.009	-0.0816	-0.1611	0.0038	-0.069	0.1128	0.2436	-0.0023	0.0014	0.2747	-0.0114	0.2763	37.3639	32.7506	63.3693
12	0.6988	-0.9751	0.661	1.4266	-0.3557	0.7557	0.0568	-0.0209	0.0113	0.0065	-0.0821	-0.0564	0.1044	-0.0926	0.0253	0.2681	-0.0062	0.0213	0.2457	0.0308	0.3197	35.4424	11.0329	64.2069
13	0.3763	-0.331	-1.6998	8.0625	3.1232	4.6384	0.1387	-0.0406	0.0359	0.3391	-0.1071	0.4291	-0.0974	0.121	-0.0315	0.3563	-0.02	0.0505	0.2622	0.0228	0.2423	39.4751	10.6706	75.8888
14	5.1813	-3.8789	-2.8273	2.6342	2.3649	7.9278	-0.3	0.1143	-0.8055	0.2102	-0.1021	0.3529	0.0847	-0.6831	0.4021	0.2523	0.017	0.0225	0.2233	0.0072	0.4571	18.514	14.1929	55.6684
15	1.4762	0.2963	0.9325	3.1681	0.1081	0.2282	-0.0567	0.1778	-0.0272	0.2179	0.1141	0.0496	0.0246	0.0733	-0.0574	0.2709	-0.0225	0.0096	0.2629	0.0163	0.2892	26.9517	10.1694	54.5812
16	1.7529	0.5669	1.3135	1.1781	0.5376	0.8825	0.0022	0.0213	-0.1282	0.0552	0.0638	-0.2255	0.0094	-0.0048	-0.066	0.2592	-0.0095	0.0064	0.2363	0.015	0.3189	50.9373	4.7644	57.5977
17	1.3671	0.7428	0.9074	2.2954	0.906	2.2503	-0.0717	0.1453	-0.0546	-0.196	0.1691	0.178	-0.0473	0.1379	-0.0974	0.259	-0.0012	0.0119	0.2554	-0.0061	0.2782	46.1246	3.214	50.8977
18	0.2642	-0.8294	-1.9878	1.4555	3.4309	8.3065	0.0092	-0.0407	-0.0102	-0.0445	0.0799	-0.1213	-0.1413	0.021	-0.0891	0.2762	0.0067	-0.001	0.302	0.0103	0.2527	53.6456	16.2276	61.1722
19	-0.1691	0.3719	0.1124	-0.2832	3.1929	15.3549	-0.1467	-0.1753	0.064	0.0725	-0.0233	0.0174	0.7662	0.3103	0.17	0.4	0.1267	-0.0446	0.5086	0.0222	0.1782	50.4772	15.7624	78.4746
20	15.8136	-9.1668	-3.2998	7.5604	10.8722	22.5583	-0.4002	-0.8952	0.0868	0.1818	0.7195	-0.161	0.6206	1.0487	-0.3194	0.354	0.0266	-0.032	0.2736	0.0434	0.2506	55.4932	16.3134	71.2006
21	6.3512	3.1579	3.9916	1.7892	1.678	2.6229	0.0749	0.0285	-0.1361	-0.0008	-0.0476	-0.0938	0.0542	0.0303	-0.0274	0.2531	0.0041	0.0021	0.2666	-0.0102	0.287	45.4493	8.7203	56.0083
22	2.8881	0.5283	0.6813	0.3921	-1.3021	6.4436	0.0163	-0.1614	0.0107	0.0055	-0.0135	0.0915	0.2039	-0.0708	-0.0028	0.2745	-0.0067	-0.0007	0.2247	0.0043	0.3096	37.9961	-0.5772	57.2059
23	3.8735	0.4377	1.0085	0.1759	0.8816	5.7732	0.0697	-0.0497	-0.1629	0.0509	-0.0321	-0.1888	0.1	-0.072	-0.0376	0.2758	0.0059	-0.0337	0.1962	0.0248	0.3345	48.7228	0.1383	64.732
24	10.1345	-2.5257	8.2344	0.7816	-2.1843	8.0731	0.0244	-0.163	-0.011	-0.0077	-0.1073	-0.1236	0.1493	-0.1337	0.0829	0.2662	0.0002	0.0191	0.2603	0.0151	0.2788	42.4993	6.871	65.3826
25	1.4564	-1.0512	-1.4807	2.6692	0.8438	1.0667	0.0249	0.1563	0.0321	-0.1435	0.0245	0.0341	0.0037	-0.1807	-0.0493	0.2803	-0.0252	-0.0281	0.3212	-0.0223	0.2273	34.2544	11.0958	44.8376
26	1.9625	-1.3371	1.2159	6.6639	-3.6234	1.8806	-0.1288	0.0006	-0.3215	-0.0786	0.1541	-0.0323	0.027	-0.1314	-0.0252	0.2891	-0.0227	0.0182	0.2593	-0.0341	0.2908	39.7874	1.5372	45.4082
27	4.0964	0.2598	-3.3922	2.3835	-1.8787	3.1636	-0.0098	-0.4232	-0.1459	0.2848	0.0077	0.026	-0.1363	0.2413	0.0021	0.279	0.0293	-0.0282	0.3268	0.0226	0.2626	16.6289	27.9405	70.9523
28	3.2587	-0.1588	-3.5064	0.858	-0.03	3.595	-0.194	-0.0307	0.0878	0.0257	0.2457	0.0928	0.2158	-0.0195	-0.0517	0.2456	0.0275	-0.0008	0.3021	0.0005	0.2858	23.5066	22.2158	61.3218
29	3.4075	-0.1917	-2.6377	1.5	-0.859	2.2945	-0.1226	0.2034	-0.1834	-0.014	0.0171	0.0946	0.1381	-0.1018	0.1056	0.2717	-0.0149	-0.0109	0.2866	-0.0163	0.2533	44.3251	17.8558	46.6822
30	1.7592	-0.2046	-0.1699	1.4534	0.4341	0.0238	0.0556	0.0538	0.0389	-0.104	0.0132	-0.0017	-0.0223	-0.0226	-0.0688	0.2579	-0.0052	-0.0066	0.2801	0.0156	0.2631	45.9478	27.2795	42.3969
31	4.5978	-0.5741	0.8112	1.9872	1.1014	1.6056	-0.0751	0.0307	0.1203	0.0449	0.0066	0.0275	-0.1395	-0.1049	0.0685	0.2516	-0.0085	0.0082	0.2298	0.0225	0.2768	38.2607	28.8805	47.1134
32	0.39	-0.1316	-0.207	5.3544	2.4172	2.3783	-0.038	0.0433	-0.1835	0.0047	-0.1989	-0.0235	-0.0325	0.0425	0.2368	0.2635	-0.0038	0.0171	0.2494	-0.021	0.303	52.3745	13.7774	49.9145
33	13.2619	11.6305	13.3679	11.9805	3.1962	11.1671	-2.0683	-1.7399	-1.2876	-2.703	0.5509	-1.8034	-1.178	-1.9692	1.5173	0.4143	-0.0454	0.2548	0.2108	-0.1131	0.9317	53.0403	0.5767	43.7445
34	5.1807	-4.3146	-3.62	11.4096	2.9672	1.596	-0.0987	0.3657	-0.1954	-0.1784	-0.0383	-0.3278	0.0405	-0.2722	0.1371	0.3476	0.0193	-0.0054	0.2416	-0.0422	0.285	55.1317	13.9487	46.8653
35	8.5467	-3.0477	-0.3712	1.4731	0.6784	0.6205	-0.1357	-0.0956	0.1248	0.0179	0.1667	-0.0978	-0.0553	0.0389	-0.031	0.2652	-0.0071	0.0088	0.2683	0.0007	0.2787	39.1498	22.9149	50.7422
36	2.4303	0.248	-1.3951	0.3923	0.2229	1.0173	-0.0436	0.0981	-0.1031	-0.0469	0.0002	-0.007	-0.0158	-0.0306	0.0433	0.2673	-0.0036	0.0096	0.2757	0.0038	0.2592	36.4199	20.0665	40.8577
37	12.2818	0.1728	-10.8033	4.7427	4.8991	13.5247	-0.1869	-0.0111	-0.2396	-0.181	0.1334	-0.0748	0.1025	0.0536	0.0535	0.3113	-0.0037	-0.0368	0.2406	0.0114	0.2907	41.8382	12.8314	40.8922
38	0.0287	0.2153	0.1451	1.5162	0.4665	0.5162	-0.0273	-0.0102	0.0127	0.0986	0.0496	0.0719	0.0755	0.0889	-0.0222	0.2709	0.016	-0.0096	0.273	-0.0185	0.2678	31.7443	21.2013	58.8126
39	1.7835	-0.4527	0.9243	0.9651	-0.6062	1.5172	0.0188	0.099	0.1474	0.014	-0.0361	0.003	0.0982	0.0499	0.0172	0.2547	0.0041	0.0043	0.2574	0.0067	0.2895	30.4074	32.6364	54.8363

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	12 - 22
2	X-RAY DIFFRACTION	2	A	23 - 28
3	X-RAY DIFFRACTION	3	A	29 - 33
4	X-RAY DIFFRACTION	4	A	34 - 39
5	X-RAY DIFFRACTION	5	A	40 - 50
6	X-RAY DIFFRACTION	6	A	51 - 56
7	X-RAY DIFFRACTION	7	A	57 - 62
8	X-RAY DIFFRACTION	8	A	63 - 72
9	X-RAY DIFFRACTION	9	A	73 - 83
10	X-RAY DIFFRACTION	10	A	84 - 89
11	X-RAY DIFFRACTION	11	A	90 - 94
12	X-RAY DIFFRACTION	12	A	95 - 104
13	X-RAY DIFFRACTION	13	A	105 - 115
14	X-RAY DIFFRACTION	14	B	1 - 6
15	X-RAY DIFFRACTION	15	B	7 - 13
16	X-RAY DIFFRACTION	16	B	14 - 37
17	X-RAY DIFFRACTION	17	B	38 - 44
18	X-RAY DIFFRACTION	18	B	45 - 51
19	X-RAY DIFFRACTION	19	B	52 - 59
20	X-RAY DIFFRACTION	20	B	60 - 64
21	X-RAY DIFFRACTION	21	B	65 - 72
22	X-RAY DIFFRACTION	22	B	73 - 79
23	X-RAY DIFFRACTION	23	B	80 - 89
24	X-RAY DIFFRACTION	24	B	90 - 98
25	X-RAY DIFFRACTION	25	B	99 - 106
26	X-RAY DIFFRACTION	26	B	107 - 115
27	X-RAY DIFFRACTION	27	C	-2 - 4
28	X-RAY DIFFRACTION	28	C	5 - 16
29	X-RAY DIFFRACTION	29	C	17 - 22
30	X-RAY DIFFRACTION	30	C	23 - 36
31	X-RAY DIFFRACTION	31	C	37 - 45
32	X-RAY DIFFRACTION	32	C	46 - 53
33	X-RAY DIFFRACTION	33	C	54 - 60
34	X-RAY DIFFRACTION	34	C	61 - 65
35	X-RAY DIFFRACTION	35	C	66 - 72
36	X-RAY DIFFRACTION	36	C	73 - 89
37	X-RAY DIFFRACTION	37	C	90 - 94
38	X-RAY DIFFRACTION	38	C	95 - 104
39	X-RAY DIFFRACTION	39	C	105 - 115

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