PDB-6oi7: Se-Met structure of apo- Escherichia coli dGTPase

ID or keywords:

Entry

Database: PDB / ID: 6oi7

Title

Se-Met structure of apo- Escherichia coli dGTPase

Components

Deoxyguanosinetriphosphate triphosphohydrolase

Keywords

METAL BINDING PROTEIN / E.coli dGTPase / Metalloenzymes / dNTP Triphosphohydrolase

Function / homology

Function and homology information

pyrimidine deoxyribonucleoside salvage / dGTPase / dGTPase activity / dGTP catabolic process / nucleobase-containing small molecule interconversion / cobalt ion binding / single-stranded DNA binding / manganese ion binding / GTPase activity / magnesium ion binding / identical protein binding
Similarity search - Function

Biological species

Escherichia coli (E. coli)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 2.9 Å

Authors

Calero, G. / Barnes, C.O. / Wu, Y.

Funding support

United States, 2items

Organization	Grant number	Country
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)	R01GM112686	United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)	R01GM116642	United States

Citation

Journal: Proc.Natl.Acad.Sci.USA / Year: 2019
Title: The crystal structure of dGTPase reveals the molecular basis of dGTP selectivity.
Authors: Barnes, C.O. / Wu, Y. / Song, J. / Lin, G. / Baxter, E.L. / Brewster, A.S. / Nagarajan, V. / Holmes, A. / Soltis, S.M. / Sauter, N.K. / Ahn, J. / Cohen, A.E. / Calero, G.

History

Deposition	Apr 8, 2019	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	May 29, 2019	Provider: repository / Type: Initial release
Revision 1.1	Jan 1, 2020	Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.2	Nov 6, 2024	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Structure summary Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature / struct_conn Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _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_conn.ptnr2_label_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	6oi7.cif.gz	1.2 MB	Display	PDBx/mmCIF format
PDB format	pdb6oi7.ent.gz	1 MB	Display	PDB format
PDBx/mmJSON format	6oi7.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/oi/6oi7 ftp://data.pdbj.org/pub/pdb/validation_reports/oi/6oi7	HTTPS FTP

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Related structure data

Related structure data	6oivC 6oiwC 6oixC 6oiyC C: citing same article (ref.)
Similar structure data	6oiy-d 4xds-d 4x9e-d 6oiw-d 6oiv-d 6oix-d 6k1g-d 4c21-1 Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#152 - Aug 2012 cAMP-dependent Protein Kinase similarity (2)

Deposited unit

A: Deoxyguanosinetriphosphate triphosphohydrolase

B: Deoxyguanosinetriphosphate triphosphohydrolase

C: Deoxyguanosinetriphosphate triphosphohydrolase

D: Deoxyguanosinetriphosphate triphosphohydrolase

E: Deoxyguanosinetriphosphate triphosphohydrolase

F: Deoxyguanosinetriphosphate triphosphohydrolase

hetero molecules

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

1

Idetical with deposited unit
defined by author&software
Evidence: light scattering

Unit cell

Length a, b, c (Å)	192.183, 192.183, 287.189
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	96
Space group name H-M	P4₃2₁2

#1: Protein	Deoxyguanosinetriphosphate triphosphohydrolase / dGTPase Mass: 59986.715 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (strain K12) (bacteria) Strain: K12 / Gene: dgt, b0160, JW0156 / Variant: K-12 / Production host: Escherichia coli (E. coli) / References: UniProt: P15723, dGTPase
#2: Chemical	ChemComp-MN / MANGANESE (II) ION Mass: 54.938 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Mn
#3: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 9 / Source method: obtained synthetically / Formula: SO₄
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 13 / Source method: isolated from a natural source / Formula: H₂O
Has protein modification	Y

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal	Density Matthews: 3.72 Å³/Da / Density % sol: 66.91 %
Crystal grow	Temperature: 289.15 K / Method: vapor diffusion, sitting drop / Details: 0.1 M Tris-HCl pH 8.0 and 1.6 M Ammonium Sulfate

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 0.968 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jun 3, 2015
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.968 Å / Relative weight: 1
Reflection	Resolution: 2.9→50 Å / Num. obs: 124944 / % possible obs: 100 % / Redundancy: 15.7 % / R_merge(I) obs: 0.277 / Net I/σ(I): 15.7
Reflection shell	Resolution: 2.9→2.95 Å / Redundancy: 15.5 % / R_merge(I) obs: 3.08 / Mean I/σ(I) obs: 1 / Num. unique obs: 4448 / % possible all: 100

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Processing

Software

Name	Version	Classification
PHENIX	(1.15.1_3469: ???)	refinement
TRUNCATE		data reduction
SCALA		data scaling
SHELXCD		phasing

Refinement

Method to determine structure:

SAD / Resolution: 2.9→49.97 Å / SU ML: 0.4 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 26.57 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.234	3557	3 %	Random
R_work	0.185	-	-	-
obs	0.187	118509	99.9 %	-

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 2.9→49.97 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	24759	0	51	13	24823

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.01	25371
X-RAY DIFFRACTION	f_angle_d	1.243	34311
X-RAY DIFFRACTION	f_dihedral_angle_d	15.162	15259
X-RAY DIFFRACTION	f_chiral_restr	0.062	3649
X-RAY DIFFRACTION	f_plane_restr	0.008	4407

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
2.9036-2.9434	0.3475	140	0.3232	4448	X-RAY DIFFRACTION	99
2.9434-2.9854	0.3572	141	0.3063	4558	X-RAY DIFFRACTION	100
2.9854-3.03	0.3845	144	0.3093	4529	X-RAY DIFFRACTION	100
3.03-3.0773	0.3172	125	0.2894	4543	X-RAY DIFFRACTION	100
3.0773-3.1278	0.3413	138	0.2851	4552	X-RAY DIFFRACTION	100
3.1278-3.1817	0.3532	146	0.2746	4548	X-RAY DIFFRACTION	100
3.1817-3.2395	0.3449	144	0.2604	4543	X-RAY DIFFRACTION	100
3.2395-3.3018	0.2953	135	0.2369	4552	X-RAY DIFFRACTION	100
3.3018-3.3692	0.2753	126	0.2279	4583	X-RAY DIFFRACTION	100
3.3692-3.4425	0.2916	133	0.2209	4576	X-RAY DIFFRACTION	100
3.4425-3.5225	0.2895	124	0.2098	4571	X-RAY DIFFRACTION	100
3.5225-3.6106	0.2653	145	0.2059	4563	X-RAY DIFFRACTION	100
3.6106-3.7082	0.2621	153	0.2003	4564	X-RAY DIFFRACTION	100
3.7082-3.8173	0.2341	135	0.1803	4557	X-RAY DIFFRACTION	100
3.8173-3.9404	0.249	129	0.1748	4610	X-RAY DIFFRACTION	100
3.9404-4.0812	0.2416	147	0.1711	4583	X-RAY DIFFRACTION	100
4.0812-4.2445	0.1985	148	0.1545	4591	X-RAY DIFFRACTION	100
4.2445-4.4376	0.2037	145	0.1468	4592	X-RAY DIFFRACTION	100
4.4376-4.6714	0.1594	138	0.1421	4618	X-RAY DIFFRACTION	100
4.6714-4.9638	0.2188	170	0.1435	4583	X-RAY DIFFRACTION	100
4.9638-5.3467	0.2042	139	0.1578	4651	X-RAY DIFFRACTION	100
5.3467-5.884	0.2048	139	0.1837	4658	X-RAY DIFFRACTION	100
5.884-6.7336	0.264	140	0.2093	4689	X-RAY DIFFRACTION	100
6.7336-8.477	0.2483	168	0.181	4732	X-RAY DIFFRACTION	100
8.477-49.9778	0.1935	165	0.1668	4958	X-RAY DIFFRACTION	100

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	2.4463	-0.2962	-0.5347	2.3315	-0.8308	2.6297	-0.0618	0.7676	0.4023	-0.1205	0.3162	0.083	-0.694	-0.0336	-0.2015	0.6312	-0.0025	-0.0774	0.7082	0.1084	0.582	53.9007	51.9643	10.5296
2	1.4402	0.0939	-1.2633	1.5053	-0.7891	2.6639	-0.0394	-0.5657	-0.2255	0.2041	-0.2308	-0.0327	0.2785	0.6058	0.2343	0.7265	-0.0375	0.0075	0.8097	0.1721	0.7699	63.3675	47.9278	31.7129
3	1.7878	0.673	-1.6561	1.0649	0.1638	1.871	0.0003	0.5187	-0.2881	-0.0935	-0.2393	-0.0119	-0.3693	0.1791	0.2168	0.4527	-0.0203	-0.1433	0.8667	0.1424	0.6444	63.2099	49.1252	18.127
4	2.1839	0.3493	0.0871	6.5137	3.889	5.0898	-0.1605	0.101	-1.1113	0.1345	0.287	-0.4296	1.6036	0.4076	-0.1868	1.0872	0.1718	0.0506	0.7028	-0.0047	1.2123	54.4548	14.371	27.0422
5	2.8669	1.1524	-0.537	3.2983	-1.451	2.2708	-0.28	0.3001	-0.6087	-0.3432	0.144	-0.2826	0.5641	0.061	0.0594	0.7544	-0.003	0.0073	0.6638	-0.0858	0.6134	55.7711	28.5795	16.1706
6	2.2692	0.6368	1.8739	0.6428	-0.1335	5.2171	0.4735	-0.2506	-0.8447	0.2188	0.1048	-0.4747	0.0042	1.5839	-0.6192	0.768	0.0194	-0.0519	1.2956	0.1789	0.9109	80.4804	44.0072	37.2057
7	1.124	0.8267	0.5318	0.9914	-1.0911	3.639	0.0871	-0.3927	-0.2048	0.1282	-0.2179	-0.3143	0.133	0.4461	0.1607	0.6896	0.0936	-0.0152	0.9956	0.1258	0.8793	77.7186	43.0844	27.3325
8	7.1876	1.7477	1.9339	4.0317	1.5095	5.3917	0.0123	-1.0838	-0.6073	0.2033	0.4351	-0.4731	-0.6698	0.1939	-0.4614	0.5723	0.0741	0.031	0.5342	0.1025	0.4706	53.7556	24.7767	41.2205
9	1.7836	0.3404	0.0299	2.5018	-1.3432	2.1084	-0.2478	0.1972	-0.3696	-0.2185	0.5119	0.1237	0.457	-0.9378	-0.1995	0.8021	-0.1858	0.0031	0.8534	0.1413	0.6961	34.0983	24.8447	26.8186
10	2.8567	0.8494	-0.0228	3.8034	-0.5972	1.7747	0.0504	-0.4175	-0.1278	0.6839	-0.3361	0.2345	-0.0964	-0.0725	0.2401	0.6199	-0.0721	0.0372	0.6288	0.0426	0.6979	45.4975	27.7354	34.5092
11	1.0803	-1.4056	-0.3017	2.4294	-1.269	1.3816	0.0207	-0.8776	0.085	0.6852	-0.0508	-0.579	0.4567	0.293	-0.0353	1.154	0.0344	-0.3235	1.6774	0.1498	1.0899	77.5064	13.7687	81.3397
12	3.3982	-1.0858	1.0317	2.2626	-0.1314	1.9831	0.1363	-0.3455	-0.5148	0.131	-0.2516	-0.3369	0.8469	0.2126	0.0838	1.0943	0.1822	-0.098	1.0725	0.0777	0.9084	71.4469	1.7686	67.4047
13	1.0233	-0.3896	-0.2738	2.1736	-0.4973	1.4624	-0.0021	-0.4604	-0.2027	1.1281	0.2616	-0.0527	1.0048	-0.2712	-0.2012	1.584	-0.1329	-0.2929	1.326	0.1383	0.8402	61.2723	5.6615	87.8673
14	1.9004	0.1803	0.4848	2.9154	-0.5241	3.608	-0.0169	0.2217	0.3935	-0.0278	-0.1746	-0.3121	0.2564	0.3034	0.1945	0.759	0.1213	-0.0941	0.9605	0.1019	0.6557	67.667	14.3978	51.9038
15	1.6628	-0.4975	1.2621	1.6593	0.2459	2.6827	0.0398	-0.2038	0.0226	0.1182	0.0354	0.0642	0.0161	0.1274	-0.0737	0.5508	0.0488	0.1393	0.7388	0.1186	0.7914	8.8314	21.7712	64.1741
16	2.6758	-0.2646	1.4474	1.6332	1.0161	1.5987	0.2089	-0.4086	-0.2467	-0.1082	0.0741	0.1865	0.4901	-0.1711	-0.3126	0.5652	-0.0604	0.0095	0.5999	0.2679	0.7789	3.6461	20.4453	61.1224
17	2.8568	-0.4512	-0.6972	1.8388	-0.1133	1.2839	0.0843	0.2515	-0.4886	-0.5516	-0.1001	-0.1176	0.1705	0.1848	-0.0589	0.7565	0.0313	0.0167	0.685	-0.0349	0.7663	24.3143	3.4587	50.1344
18	1.8286	-0.6007	-0.3261	1.5503	0.6925	0.5514	0.1226	0.4102	-0.364	-0.0722	0.1039	-0.1621	0.1907	-0.0679	-0.2098	0.7496	-0.0446	-0.0288	0.6658	0.0313	0.7363	10.5191	14.0326	51.0795
19	6.733	-1.7931	0.102	5.6286	-0.7472	2.3918	0.4146	1.4375	1.2343	-1.0975	-0.3423	0.5777	-0.1015	0.1799	-0.0696	0.8215	-0.0811	-0.0062	0.8805	0.3273	1.013	10.9406	44.3311	39.5866
20	4.4716	0.6874	-0.8558	3.0275	-1.1579	2.174	0.0039	0.4871	0.5725	-0.5689	0.2769	0.5927	0.0116	0.0759	-0.279	0.6412	0.003	-0.0043	0.7853	0.1052	0.6947	5.8574	29.6437	45.5133
21	2.0194	-1.3372	0.5096	5.5118	-1.6254	2.3044	-0.026	-0.4081	-0.3955	-0.3037	0.0428	-0.1616	0.2878	0.4044	0.069	0.421	0.1199	0.0708	0.8319	0.1917	0.7455	39.3214	9.2841	57.2725
22	2.3569	-1.4746	0.1166	2.6537	0.0329	3.0286	0.151	-0.5658	-0.1769	-0.2336	-0.1619	-0.0912	0.1462	0.2349	0.0083	0.7013	0.0718	0.0284	0.7795	0.0676	0.8271	34.0875	7.2973	61.6076
23	1.8975	-0.3863	0.4783	0.5951	-0.3164	0.8009	0.3947	0.2841	0.9468	0.3028	-0.4349	-0.7313	0.9645	0.407	0.1322	2.3227	-0.0117	-1.4955	1.3885	0.0256	0.2045	74.1871	23.4629	104.1779
24	1.692	-0.9337	-0.3441	2.4922	0.3531	2.8048	-0.7641	0.4673	0.8727	0.0552	0.3271	-0.8905	0.083	0.1153	0.2368	1.0636	-0.084	-0.4486	1.1366	0.1909	1.2434	74.8238	28.3322	81.1967
25	1.6662	-0.1348	0.5647	0.4875	0.41	0.4534	0.2599	-1.0274	0.2978	0.8107	-0.3275	-0.3094	0.4551	-0.3452	0.0739	1.4289	-0.1822	-0.4578	1.358	0.1253	1.0955	79.7011	27.8953	94.2102
26	1.2312	-1.9674	-0.8062	4.2245	-0.9082	6.562	-0.2458	0.0196	0.4855	1.0726	0.2198	-0.9168	-0.2693	-0.3822	-0.1848	1.21	-0.1889	-0.225	1.2554	-0.0924	1.0941	59.1772	58.9289	89.708
27	1.7992	-0.9521	-1.0267	3.0732	-0.0749	1.4461	0.0681	-0.4658	0.4907	1.4062	0.0008	-1.1189	0.0421	0.3896	-0.1572	1.3619	-0.1917	-0.378	1.3593	-0.3062	1.1325	68.5813	45.9674	98.5951
28	2.4813	0.0122	0.62	2.2897	0.2618	2.7725	0.7137	0.0366	0.0407	0.3035	-0.3957	-1.3902	0.0737	0.5713	-0.2838	0.7818	-0.1532	-0.1617	1.5277	0.0511	1.5313	81.9755	36.0806	71.2014
29	1.563	-0.7576	1.0012	0.4585	-0.6309	1.0184	-0.0694	1.0372	0.2998	-1.0947	-0.7522	-0.3434	-0.5831	0.4433	0.1892	1.1581	0.0535	-0.2059	1.8935	0.1462	1.9846	96.0901	35.1099	66.319
30	0.8202	-0.9749	1.0276	1.2736	-0.8821	3.0044	-0.0363	-0.0953	0.8488	0.4604	-0.0091	-1.2469	0.1513	0.2554	0.0356	0.8807	-0.119	-0.4686	1.5893	0.0554	1.7991	87.9749	36.6806	80.4775
31	5.0819	-0.818	-3.7276	2.3226	0.7515	5.6233	0.7017	0.8028	0.8069	-0.1518	0.4408	-0.5805	0.0513	0.239	-0.8545	0.6218	-0.1399	-0.1731	0.9862	-0.1048	0.7905	56.7299	47.6433	76.1943
32	1.6963	-0.3947	0.4015	2.3206	-0.7234	3.4159	0.0352	-1.0454	0.27	1.0997	0.1894	0.153	0.1968	-0.052	-0.2447	1.1824	-0.0883	0.0076	1.4502	-0.1607	0.7225	43.742	43.5001	96.2117
33	2.7763	-1.3528	-0.7482	2.456	-0.3645	1.2673	0.2309	-0.0734	0.1972	0.1806	-0.2471	0.1379	0.2013	-0.4018	-0.1485	0.8286	-0.1274	-0.0384	1.1924	-0.116	0.6921	52.2603	43.2097	85.1345
34	1.6106	-0.7788	-0.8241	2.125	-0.2301	2.9637	-0.0321	-0.0211	-0.2874	0.0932	0.0911	0.0111	0.0266	-0.1426	-0.0244	0.5007	-0.0824	0.0751	0.6485	0.0309	0.806	7.6443	37.0178	69.7448
35	1.4986	0.6404	-0.2104	1.7407	0.1588	0.7583	0.1276	-0.4343	0.2008	0.3137	0.143	-0.3226	-0.3231	0.0891	-0.207	0.7202	-0.0302	0.0774	0.8426	-0.0739	0.905	16.667	54.0539	77.5712
36	2.0548	-0.2917	-0.2383	2.6158	-0.5612	1.2088	-0.1168	-0.6356	-0.1397	0.5012	0.0385	-0.0759	-0.0038	0.3646	0.0797	0.6668	-0.0224	-0.0047	0.9578	0.0131	0.5868	15.0993	32.5535	86.3763
37	1.7946	-0.3462	-0.3968	1.9085	-0.4683	2.2648	0.2376	0.2184	0.2742	-0.1176	-0.093	-0.0521	-0.3065	0.3773	-0.0909	0.565	-0.161	0.125	0.8021	-0.0123	1.0715	29.9614	58.0592	65.278
38	1.3465	0.2836	0.7861	2.3993	-1.1597	1.1633	-0.1298	-0.0164	0.2232	-0.1365	-0.0233	-0.0903	0.0836	-0.0919	0.1774	0.6528	-0.0266	0.0156	0.6778	0.0463	0.7458	62.4315	62.3448	31.7175
39	1.3961	0.3857	-0.3937	1.773	-0.0887	1.4741	0.1908	-0.2491	0.5243	0.2123	-0.1794	0.2824	-0.1734	-0.1677	0.0036	0.6499	-0.0499	0.0625	0.7384	-0.0396	0.8009	52.8815	70.1112	42.3069
40	2.4758	1.2845	0.5284	0.1884	-0.7345	2.2849	0.21	-0.0981	0.2869	0.1555	0.15	0.5021	-0.1402	-0.6088	-0.1769	0.6055	0.1265	0.0945	0.6019	-0.0321	0.9493	44.6905	64.9204	37.6551
41	3.2595	-0.1142	-0.1183	1.4598	0.3461	3.2089	0.3687	-0.8216	-0.3522	0.456	-0.3444	-0.3178	-0.0953	0.1529	0.0276	0.7395	-0.2451	0.0188	0.9809	-0.0057	0.5606	67.0332	61.299	63.1631

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	CHAIN 'A' AND (RESID 2 THROUGH 40 )
2	X-RAY DIFFRACTION	2	CHAIN 'A' AND (RESID 41 THROUGH 90 )
3	X-RAY DIFFRACTION	3	CHAIN 'A' AND (RESID 91 THROUGH 125 )
4	X-RAY DIFFRACTION	4	CHAIN 'A' AND (RESID 126 THROUGH 157 )
5	X-RAY DIFFRACTION	5	CHAIN 'A' AND (RESID 158 THROUGH 258 )
6	X-RAY DIFFRACTION	6	CHAIN 'A' AND (RESID 259 THROUGH 327 )
7	X-RAY DIFFRACTION	7	CHAIN 'A' AND (RESID 328 THROUGH 393 )
8	X-RAY DIFFRACTION	8	CHAIN 'A' AND (RESID 394 THROUGH 418 )
9	X-RAY DIFFRACTION	9	CHAIN 'A' AND (RESID 419 THROUGH 468 )
10	X-RAY DIFFRACTION	10	CHAIN 'A' AND (RESID 469 THROUGH 504 )
11	X-RAY DIFFRACTION	11	CHAIN 'B' AND (RESID 3 THROUGH 90 )
12	X-RAY DIFFRACTION	12	CHAIN 'B' AND (RESID 91 THROUGH 236 )
13	X-RAY DIFFRACTION	13	CHAIN 'B' AND (RESID 237 THROUGH 393 )
14	X-RAY DIFFRACTION	14	CHAIN 'B' AND (RESID 394 THROUGH 504 )
15	X-RAY DIFFRACTION	15	CHAIN 'C' AND (RESID 3 THROUGH 90 )
16	X-RAY DIFFRACTION	16	CHAIN 'C' AND (RESID 91 THROUGH 124 )
17	X-RAY DIFFRACTION	17	CHAIN 'C' AND (RESID 125 THROUGH 219 )
18	X-RAY DIFFRACTION	18	CHAIN 'C' AND (RESID 220 THROUGH 282 )
19	X-RAY DIFFRACTION	19	CHAIN 'C' AND (RESID 283 THROUGH 328 )
20	X-RAY DIFFRACTION	20	CHAIN 'C' AND (RESID 329 THROUGH 393 )
21	X-RAY DIFFRACTION	21	CHAIN 'C' AND (RESID 394 THROUGH 437 )
22	X-RAY DIFFRACTION	22	CHAIN 'C' AND (RESID 438 THROUGH 504 )
23	X-RAY DIFFRACTION	23	CHAIN 'D' AND (RESID 3 THROUGH 40 )
24	X-RAY DIFFRACTION	24	CHAIN 'D' AND (RESID 41 THROUGH 90 )
25	X-RAY DIFFRACTION	25	CHAIN 'D' AND (RESID 91 THROUGH 124 )
26	X-RAY DIFFRACTION	26	CHAIN 'D' AND (RESID 125 THROUGH 160 )
27	X-RAY DIFFRACTION	27	CHAIN 'D' AND (RESID 161 THROUGH 260 )
28	X-RAY DIFFRACTION	28	CHAIN 'D' AND (RESID 261 THROUGH 296 )
29	X-RAY DIFFRACTION	29	CHAIN 'D' AND (RESID 297 THROUGH 328 )
30	X-RAY DIFFRACTION	30	CHAIN 'D' AND (RESID 329 THROUGH 393 )
31	X-RAY DIFFRACTION	31	CHAIN 'D' AND (RESID 394 THROUGH 418 )
32	X-RAY DIFFRACTION	32	CHAIN 'D' AND (RESID 419 THROUGH 468 )
33	X-RAY DIFFRACTION	33	CHAIN 'D' AND (RESID 469 THROUGH 504 )
34	X-RAY DIFFRACTION	34	CHAIN 'E' AND (RESID 3 THROUGH 90 )
35	X-RAY DIFFRACTION	35	CHAIN 'E' AND (RESID 91 THROUGH 219 )
36	X-RAY DIFFRACTION	36	CHAIN 'E' AND (RESID 220 THROUGH 393 )
37	X-RAY DIFFRACTION	37	CHAIN 'E' AND (RESID 394 THROUGH 504 )
38	X-RAY DIFFRACTION	38	CHAIN 'F' AND (RESID 3 THROUGH 90 )
39	X-RAY DIFFRACTION	39	CHAIN 'F' AND (RESID 91 THROUGH 327 )
40	X-RAY DIFFRACTION	40	CHAIN 'F' AND (RESID 328 THROUGH 418 )
41	X-RAY DIFFRACTION	41	CHAIN 'F' AND (RESID 419 THROUGH 504 )

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