PDB-4ovm: Crystal structure of SgcJ protein from Streptomyces carzinostaticus

ID or keywords:

Entry

Database: PDB / ID: 4ovm

Title

Crystal structure of SgcJ protein from Streptomyces carzinostaticus

Components

uncharacterized protein SgcJ

Keywords

UNKNOWN FUNCTION / neocarzinostatin biosynthesis / unknown funciton / PSI-biology / Midwest Center for Structural Genomics / MCSG / Enzyme Discovery for Natural Product Biosynthesis / NatPro /

Structural Genomics

Function / homology

Domain of unknown function DUF4440 / Domain of unknown function (DUF4440) / Steroid delta5-4-isomerase / Nuclear Transport Factor 2; Chain: A, - #50 / NTF2-like domain superfamily / Nuclear Transport Factor 2; Chain: A, / Roll / Alpha Beta / DUF4440 domain-containing protein

Function and homology information

Biological species

Streptomyces carzinostaticus subsp. neocarzinostaticus (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 2.719 Å

Authors

Chang, C. / Bigelow, L. / Clancy, S. / Bingman, C.A. / Yennamalli, R. / Lohman, J.R. / Ma, M. / Shen, B. / Phillips Jr., G.N. / Babnigg, G. ...

Citation

Journal: J.Antibiot. / Year: 2016
Title: Crystal structure of SgcJ, an NTF2-like superfamily protein involved in biosynthesis of the nine-membered enediyne antitumor antibiotic C-1027.
Authors: Huang, T. / Chang, C.Y. / Lohman, J.R. / Rudolf, J.D. / Kim, Y. / Chang, C. / Yang, D. / Ma, M. / Yan, X. / Crnovcic, I. / Bigelow, L. / Clancy, S. / Bingman, C.A. / Yennamalli, R.M. / ...

History

Deposition	Nov 20, 2013	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Dec 25, 2013	Provider: repository / Type: Initial release
Revision 1.1	Jan 22, 2014	Group: Structure summary
Revision 1.2	Apr 23, 2014	Group: Other / Structure summary
Revision 1.3	Aug 6, 2014	Group: Database references / Structure summary
Revision 1.4	Feb 25, 2015	Group: Derived calculations
Revision 1.5	Nov 2, 2016	Group: Database references / Other / Structure summary
Revision 1.6	Sep 27, 2017	Group: Derived calculations / Category: pdbx_struct_oper_list / Item: _pdbx_struct_oper_list.symmetry_operation
Revision 1.7	Mar 22, 2023	Group: Database references / Structure summary / Category: audit_author / database_2 Item: _audit_author.name / _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4ovm.cif.gz	479.8 KB	Display	PDBx/mmCIF format
PDB format	pdb4ovm.ent.gz	407 KB	Display	PDB format
PDBx/mmJSON format	4ovm.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/ov/4ovm ftp://data.pdbj.org/pub/pdb/validation_reports/ov/4ovm	HTTPS FTP

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Related structure data

Related structure data	4i4kC C: citing same article (ref.)
Similar structure data	3cla-d 1ask-d 1ji0-d 2bbz-3 3hx8-2 1uog-d 3dw0-2 5agj-d 2wfe-1 2x47-d 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 - HomologyF&H Search
Other databases	TargetTrack: MCSG-APC109139 TargetTrack: NATPRO-GO.119825

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#44 - Aug 2003 Calmodulin similarity (1)

Deposited unit

A: uncharacterized protein SgcJ

B: uncharacterized protein SgcJ

C: uncharacterized protein SgcJ

D: uncharacterized protein SgcJ

E: uncharacterized protein SgcJ

F: uncharacterized protein SgcJ

G: uncharacterized protein SgcJ

H: uncharacterized protein SgcJ

I: uncharacterized protein SgcJ

J: uncharacterized protein SgcJ

156 kDa, 10 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: uncharacterized protein SgcJ

B: uncharacterized protein SgcJ

defined by author&software
31.3 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: uncharacterized protein SgcJ

D: uncharacterized protein SgcJ

defined by author&software
31.3 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

E: uncharacterized protein SgcJ

F: uncharacterized protein SgcJ

defined by author&software
31.3 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

G: uncharacterized protein SgcJ

H: uncharacterized protein SgcJ

defined by author&software
31.3 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

5

I: uncharacterized protein SgcJ

J: uncharacterized protein SgcJ

defined by author&software
31.3 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	98.318, 52.827, 131.796
Angle α, β, γ (deg.)	90.000, 90.140, 90.000
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	uncharacterized protein SgcJ Mass: 15630.715 Da / Num. of mol.: 10 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptomyces carzinostaticus subsp. neocarzinostaticus (bacteria) Plasmid: pMCSG57 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)magic / References: UniProt: Q84HC7
#2: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 10 / 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: 2.24 Å³/Da / Density % sol: 45.01 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, sitting drop / Details: 0.2 M Sodium Formate, 20% w/v PEG 3350 / PH range: 6.0-7.0

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 19-ID / Wavelength: 0.97935 Å

Detector

Type: ADSC QUANTUM 315r / Detector: CCD / Date: Aug 3, 2012

Radiation

Monochromator: Si(111) double crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 0.97935 Å / Relative weight: 1

Reflection

Resolution: 2.72→50 Å / Num. all: 36971 / Num. obs: 36879 / % possible obs: 99.8 % / Observed criterion σ(I): -3 / Redundancy: 7.1 % / B_iso Wilson estimate: 43.53 Å² / R_merge(I) obs: 0.084 / Χ²: 0.906 / Net I/av σ(I): 21.801 / Net I/σ(I): 11.5 / Num. measured all: 262129

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Mean I/σ(I) obs	Num. unique all	Χ²	% possible all
2.72-2.77	7.2	0.959	2.71	1826	0.922	100
2.77-2.82	7.2	0.883		1817	0.903	100
2.82-2.87	7.2	0.77		1821	0.883	100
2.87-2.93	7.2	0.649		1864	0.89	100
2.93-2.99	7.2	0.471		1805	0.879	100
2.99-3.06	7.2	0.362		1828	0.907	100
3.06-3.14	7.2	0.29		1857	0.885	100
3.14-3.22	7.2	0.224		1791	0.875	100
3.22-3.32	7.2	0.179		1868	0.845	100
3.32-3.43	7.2	0.13		1813	0.873	100
3.43-3.55	7.2	0.115		1858	0.886	100
3.55-3.69	7.2	0.098		1824	0.901	100
3.69-3.86	7.2	0.083		1842	0.957	99.9
3.86-4.06	7.1	0.071		1868	0.941	100
4.06-4.32	7.1	0.066		1847	1.045	100
4.32-4.65	7.1	0.061		1855	1.028	100
4.65-5.12	7	0.059		1852	0.968	100
5.12-5.86	6.8	0.053		1891	0.857	100
5.86-7.38	6.9	0.05		1877	0.897	100
7.38-50	6.6	0.046		1875	0.779	95.4

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Processing

Software

Name	Version	Classification
HKL-3000		data reduction
PHENIX	(phenix.refine: 1.8.1_1168)	refinement
HKL-3000		phasing
SCALEPACK		data scaling

Refinement

Method to determine structure:

SAD / Resolution: 2.719→37.992 Å / Occupancy max: 1 / Occupancy min: 1 / SU ML: 0.37 / Cross valid method: FREE R-VALUE / σ(F): 0 / Phase error: 28.27 / Stereochemistry target values: MLHL

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2562	1940	5.91 %	Random
R_work	0.2165	30861	-	-
obs	0.2189	32801	88.58 %	-

Solvent computation

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

Displacement parameters

B_iso max: 224.37 Å² / B_iso mean: 71.7697 Å² / B_iso min: 22.32 Å²

Refinement step

Cycle: LAST / Resolution: 2.719→37.992 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	9230	0	0	10	9240

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.002	9475
X-RAY DIFFRACTION	f_angle_d	0.648	12935
X-RAY DIFFRACTION	f_chiral_restr	0.042	1452
X-RAY DIFFRACTION	f_plane_restr	0.003	1673
X-RAY DIFFRACTION	f_dihedral_angle_d	10.736	3270

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 14

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
2.7188-2.7868	0.4102	63	0.3335	1011	1074	40
2.7868-2.8621	0.3278	74	0.3288	1287	1361	53
2.8621-2.9463	0.3532	106	0.3255	1732	1838	70
2.9463-3.0414	0.3504	137	0.3018	2169	2306	89
3.0414-3.15	0.3505	141	0.2683	2351	2492	94
3.15-3.2761	0.2831	156	0.252	2436	2592	98
3.2761-3.4251	0.2907	152	0.2259	2402	2554	99
3.4251-3.6056	0.2532	154	0.2136	2484	2638	100
3.6056-3.8313	0.2369	157	0.2052	2472	2629	100
3.8313-4.1268	0.2275	159	0.1824	2480	2639	100
4.1268-4.5414	0.2228	156	0.165	2495	2651	100
4.5414-5.1972	0.1796	160	0.1593	2490	2650	100
5.1972-6.5424	0.2372	160	0.213	2538	2698	100
6.5424-37.9958	0.2584	165	0.2271	2514	2679	97

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	0.4674	-0.7782	1.8137	4.2586	-3.8839	7.2404	0.5845	-0.5817	0.6188	-0.6574	-0.9541	-1.5583	0.4554	0.6884	0.6803	0.3352	0.0316	0.0724	0.8237	-0.0495	0.8568	64.9706	18.0322	35.7944
2	2.1002	2.8084	1.8516	5.857	1.6306	5.7205	0.3807	0.2878	-1.5005	2.3416	0.4119	-1.1627	1.4865	0.3018	-0.2655	0.6678	0.1468	-0.001	0.9828	-0.0581	0.6536	66.9419	29.7457	27.7793
3	8.7588	1.6769	1.9784	6.2707	0.9839	2.4477	-0.1308	1.504	-0.3778	-0.2306	0.3725	-0.0166	0.3324	0.6627	-0.0956	0.5678	0.0237	0.106	0.8438	-0.0385	0.3837	54.6121	27.5288	22.885
4	4.8179	4.5785	2.1323	4.3242	1.4472	3.6576	-0.3476	1.5666	0.5157	-0.3474	0.1489	1.0792	0.6932	-0.3231	0.0404	0.6361	-0.0927	-0.0016	1.0732	0.0127	0.5311	60.5716	34.438	21.0395
5	8.1109	-1.1092	-0.1521	2.6616	-0.8517	8.2732	-0.1045	-0.3785	-1.3412	-0.6747	0.4786	-0.9088	0.7898	0.3069	-0.3854	0.4557	0.0082	0.0317	0.2779	-0.0596	0.4105	56.4433	20.6134	38.4301
6	7.8906	0.1758	-6.9989	8.3074	2.5344	7.0834	0.1462	-2.7443	0.3951	2.0615	-0.5089	-2.1038	0.5995	2.7298	0.1037	0.5351	-0.3335	-0.1061	1.2983	0.1073	0.7446	65.9626	41.3842	35.7927
7	6.5471	-0.6055	-1.1317	6.5832	-0.7392	4.9986	-0.0174	1.0407	-0.321	-0.4321	-0.0561	-0.1159	0.5844	0.2375	0.1316	0.2604	0.0189	0.0089	0.4015	-0.068	0.2667	55.2684	25.9451	32.9808
8	7.3465	3.8909	5.0863	3.2646	0.1424	8.9912	-0.9709	1.9775	-0.9833	-1.2124	-0.4624	3.3139	0.7286	-0.4675	0.6854	0.6298	-0.1601	-0.2418	0.5748	-0.1361	0.8754	34.8536	14.0744	27.6801
9	7.7923	-3.1887	0.4347	9.9721	0.7669	6.4018	1.0311	0.2562	-1.1543	-1.6996	0.038	0.76	0.1882	-1.3296	-0.8304	0.536	-0.1514	0.0586	0.6299	0.0677	0.547	33.7724	22.1218	39.2092
10	0.3627	0.4419	1.3546	2.0042	-3.5962	7.7526	0.1196	-0.5093	-1.2597	1.6158	-0.1402	2.6093	-0.5413	-2.2822	-0.0776	0.3685	0.0174	0.0224	0.2931	0.023	0.5954	44.8976	28.3576	39.8508
11	3.3972	-4.2043	-2.7286	5.3168	4.0114	6.4996	0.1901	-0.8337	-0.1687	0.2954	0.029	0.2185	-0.3903	-0.5224	-0.2855	0.5001	-0.0151	0.0923	0.6502	0.1023	0.3528	41.6628	26.5415	47.0676
12	3.9631	2.9165	3.9503	7.2554	3.4818	4.0602	0.3244	-0.1537	-0.0196	-0.0046	0.1156	0.399	0.1207	-0.5591	-0.4258	0.3893	0.0957	0.0624	0.5321	-0.0431	0.4551	31.2339	33.6829	42.2583
13	8.1646	-5.5193	1.1261	8.8041	-2.6035	6.3651	-0.461	0.7653	-0.8627	-0.7044	0.6473	1.0134	0.0418	0.4057	-0.1657	0.454	-0.1253	-0.0171	0.4909	-0.1492	0.4811	42.092	20.2645	25.8727
14	4.6207	-2.6294	-0.7293	3.2265	-1.2242	7.08	0.1147	0.1606	-0.0289	-0.6137	0.0843	1.0079	0.3199	-0.8542	-0.0884	0.1519	-0.0741	-0.0681	0.6416	-0.0339	0.3942	38.4904	27.9058	32.3978
15	2.0574	-0.1301	-1.4605	2.0723	1.4065	6.1724	-0.7902	2.2248	-0.8457	-0.7481	-0.0443	0.4376	0.2591	-0.3333	-0.0753	0.8486	-0.085	0.1157	0.9224	-0.2011	0.6356	86.9404	44.6688	5.0014
16	4.3199	3.0593	0.8135	5.9903	1.0086	0.237	-0.0642	0.2183	-0.0113	-0.7785	-0.0248	-0.0183	0.0785	-0.3277	0.0198	0.5637	-0.0338	0.0766	0.6271	0.1541	0.4435	86.2708	45.6177	22.2664
17	5.6337	1.7374	-1.6564	4.7787	-1.5461	2.1332	0.3669	-0.1936	-0.1044	0.1319	-0.2068	-0.013	0.048	-0.2996	-0.0314	0.4807	-0.1158	0.067	0.709	0.1828	0.4528	85.0389	43.1134	29.1947
18	3.7765	1.5881	1.3349	4.3597	-1.8622	4.5219	-0.1611	0.0184	0.1512	-0.5129	0.1799	0.2985	0.1813	-0.2922	-0.0448	0.488	0.0156	-0.035	0.5176	0.049	0.3485	80.1287	51.7014	14.6221
19	6.9112	-0.1603	0.2962	6.9574	0.4506	5.459	-0.3208	0.3603	-0.2242	-0.2872	0.1476	-0.0975	-0.1876	0.2404	0.1774	0.3695	-0.06	-0.0218	0.3978	0.077	0.2012	88.6325	51.7278	15.3696
20	3.6197	-0.1268	-0.5858	1.2538	2.9867	9.6185	1.4919	-0.4585	-0.5663	1.3009	0.0362	-1.5795	-0.5947	0.9347	-0.9252	0.6062	-0.3716	0.0002	1.0081	0.0972	0.9433	107.8991	63.255	20.6324
21	3.1522	-1.1426	0.8035	6.2623	-5.0484	7.2482	-2.1639	0.4128	0.0528	1.0421	-0.4616	-0.8107	-2.1923	1.6013	1.7029	1.5821	-0.3743	-0.2962	0.9354	0.1974	1.2304	99.9338	74.3373	20.3679
22	3.7287	-0.3998	3.4937	2.2296	-3.6289	1.9944	-1.0874	0.3834	0.4888	-0.5466	-0.129	0.0803	-2.1745	1.6626	0.1528	0.7471	-0.662	-0.3273	1.0356	0.6594	0.8713	99.4579	72.4448	12.6809
23	5.9517	2.4447	-5.223	2.4239	-2.7591	4.8533	-0.4177	1.3418	-0.7859	-0.4939	0.362	0.3977	-0.4113	0.1513	0.9458	1.0126	-0.4737	-0.1159	1.1131	0.1735	0.7463	97.2916	64.2804	7.3269
24	2.0003	-2.7323	-8.2813	3.0714	-1.5985	1.9964	-0.0526	-0.0339	2.5408	-0.1686	0.7424	0.5167	-3.6505	0.6617	-0.4096	0.7838	-0.1364	-0.1861	0.7979	0.2136	0.773	88.6455	65.1906	15.7679
25	2.4531	1.6148	0.4654	3.4997	-0.6238	5.106	-1.0019	0.3783	2.3527	0.6373	0.0368	0.9078	-1.12	0.3751	0.8471	1.0929	-0.215	-0.3995	0.7748	0.4574	1.2326	88.8812	70.8781	11.0501
26	2.8751	2.8396	1.5382	2.8061	1.5301	0.844	-1.6407	1.245	1.8906	-0.5849	0.7122	1.1311	-2.4993	0.6056	0.7861	1.0273	0.0115	-0.3718	0.6969	0.207	1.2331	91.1771	78.5933	21.8907
27	8.3096	-3.0068	-4.7018	8.9736	4.5787	3.8406	0.182	-0.1413	-0.0644	-1.1467	0.4465	-1.2121	-1.2677	0.3764	-0.4777	0.5821	-0.0428	0.051	0.552	0.1024	0.4374	101.5544	58.4767	25.9379
28	6.2717	-3.4599	-0.3228	9.1401	2.7938	5.9002	-0.3483	-0.1013	0.5162	-0.6862	-0.2767	0.1009	-1.3737	0.4202	0.4294	0.5176	-0.0765	-0.0692	0.452	0.0989	0.3771	95.8355	65.8701	27.0708
29	3.5444	2.9917	-1.622	3.3898	-2.0798	2.1142	-1.092	0.6953	1.0344	-0.7067	1.0024	0.451	0.1925	1.1558	-0.1633	0.5246	-0.2701	0.1101	0.955	0.1829	0.1636	99.7073	60.0711	17.6719
30	4.705	2.3225	1.7234	3.1415	-0.0013	1.5371	-0.9031	1.1041	0.4316	-0.5299	0.2064	0.0089	-1.2344	0.5034	-0.3568	0.4829	-0.0973	0.0353	0.4196	0.1694	0.3222	95.1074	61.7653	18.2212
31	1.6114	0.3676	1.805	2.3849	-1.2443	3.2324	-0.8783	-1.5441	-0.8725	1.1501	-0.5594	0.1169	-0.3402	0.1601	-3.5863	1.1498	-0.2636	0.2211	0.3498	0.5656	-0.1693	108.1611	45.9314	61.6547
32	3.8322	4.242	-4.6153	4.7901	-5.331	5.9091	-0.0102	-0.4141	0.3743	1.5558	-0.776	0.0036	-1.3326	1.2398	0.0311	0.6406	-0.0951	-0.0303	0.607	0.0199	0.5106	113.936	39.6051	50.9659
33	4.9431	-2.7931	1.35	3.3261	-3.4154	4.0834	-0.0459	0.0917	-0.5548	-0.3571	-0.3283	-0.2361	0.4161	-0.1322	0.0527	0.3841	-0.0449	0.063	0.3281	-0.1338	0.4924	104.0156	46.3167	43.8457
34	8.7067	-6.2418	-1.0999	4.4926	0.8462	5.1154	0.6841	0.6016	-0.0894	-1.8286	-0.2335	0.3797	0.2393	0.5094	-0.0168	0.5313	0.0005	-0.0258	0.3778	-0.1184	0.5996	107.7617	40.0155	40.1164
35	4.8798	1.8737	2.9295	3.8523	2.8012	3.9498	-0.1273	1.2281	0.2315	-0.9315	0.5456	-0.0921	-1.0268	0.2861	0.4255	0.2505	0.0291	0.0572	0.6212	-0.0402	0.4499	119.2732	41.3506	43.4802
36	4.3412	-5.9089	-0.7202	9.7822	1.259	6.5678	-0.8862	0.5182	-0.5476	1.6548	0.7617	0.5274	-1.0305	-1.0652	0.435	0.658	-0.2812	-0.2138	0.3065	-0.1476	0.179	110.3273	54.3262	60.0361
37	3.3667	-3.1683	-0.9054	6.6288	3.2318	7.2023	-1.0846	-0.8755	-1.0651	0.7735	0.4589	-0.1206	0.7972	0.2251	0.5621	0.6231	-0.1117	0.0215	0.3074	0.0666	0.3884	114.5652	50.1387	53.7704
38	2.5948	-1.7175	-0.1989	3.1054	0.6492	4.1499	-0.9464	0.3039	0.0378	-0.0347	0.3722	0.0643	0.2821	0.0973	0.0696	0.4799	-0.1041	0.1338	0.2863	-0.0851	0.2836	110.2885	52.3527	51.9524
39	4.6127	-1.2368	3.1715	4.0384	0.66	4.2368	-0.3825	0.0361	0.1594	0.4374	0.2397	0.3314	-0.3793	-0.6026	0.131	0.5272	0.0689	0.0082	0.1362	-0.0551	0.3626	106.0429	50.9864	51.1002
40	8.4604	3.6774	-0.3473	4.2783	1.1084	5.1678	-0.2675	-0.7748	0.6534	-0.6474	0.9346	1.6271	-0.1112	-0.3209	-0.4128	0.7446	0.2004	-0.0827	0.6971	0.1791	0.944	87.7566	64.4523	45.6085
41	9.6543	6.3042	0.3468	4.2017	-0.6544	6.9185	-0.4537	1.0839	0.4226	0.5196	0.2154	-0.1081	-0.4422	-0.7202	-0.2106	1.0111	-0.0191	-0.1525	0.5465	0.0127	0.9704	99.7249	74.0403	42.8745
42	4.9119	3.3646	1.2053	3.3694	-2.1768	8.7651	0.3426	-1.8409	1.8349	0.0798	-0.2875	0.9972	-0.5274	-0.6601	-0.0299	0.8736	0.1111	-0.0101	0.3442	-0.128	0.7526	101.2046	72.3855	52.8013
43	4.0858	0.2341	1.0297	6.3631	4.9403	4.0053	-0.6604	-0.2419	2.0928	0.233	0.9134	-0.0916	-2.5527	-0.71	-0.7481	0.7629	0.3669	-0.0349	0.471	-0.1706	0.6418	106.9248	64.7137	53.062
44	1.7296	1.3814	-0.0489	2.6166	-1.615	1.3505	-0.3816	-0.0831	1.393	0.8025	-0.2946	-0.8582	-0.6728	-0.4598	0.2849	0.8639	-0.0041	-0.1557	0.4516	-0.0535	1.0617	110.8909	72.4681	48.3846
45	6.6202	-1.145	-0.8606	5.1829	1.8197	5.8799	0.0125	0.4159	-0.1734	0.5896	-0.0146	0.3714	-0.7276	-0.849	0.0211	0.3665	0.072	0.0516	0.2813	-0.0758	0.2647	95.427	58.4742	43.8676
46	1.9364	2.2145	-0.6587	9.0175	3.7835	3.3484	0.1684	1.4086	1.4989	-2.3688	-1.0077	1.2723	-1.9852	0.0412	-0.171	1.1982	-0.2001	-0.08	0.7258	0.3296	0.8762	108.2213	71.0398	31.1878
47	4.5883	0.0086	-0.2339	4.3184	1.3421	2.6953	-0.2965	0.2647	0.5573	0.6257	0.089	-0.3418	-1.1076	-1.3459	-0.0478	0.5057	0.0821	-0.0454	0.2885	-0.0244	0.3759	99.9053	61.1858	45.5753
48	4.0617	1.7731	1.3686	4.4433	-2.3327	2.8307	-0.797	0.2211	-0.5122	1.1536	-1.6218	-0.3025	-1.0108	0.0302	-1.3528	0.6205	0.2636	0.1653	-0.1776	-0.4535	0.1487	102.3763	62.1492	46.8067
49	2.0088	2.1477	0.855	6.299	-1.2821	4.1672	0.4237	1.1354	-0.1217	-1.4008	0.2506	0.3116	1.1857	0.2857	-0.9979	1.2832	0.1287	-0.4139	-0.0133	0.0769	0.874	62.303	44.7229	47.9394
50	4.5492	-4.6661	-3.0347	5.1746	3.9072	9.7376	-0.6132	0.6279	-0.0798	-0.3821	-0.9319	1.3758	-0.6065	-0.5987	1.2033	0.9658	-0.1626	-0.2265	0.9652	0.2461	0.9866	74.6728	42.099	44.7823
51	2.0084	0.3086	-0.6185	6.2101	-0.7933	4.8244	-0.3294	0.5191	0.6793	-0.2234	-0.1507	1.1463	-1.0072	0.6537	0.323	0.76	0.0411	-0.2152	0.599	-0.0959	0.7166	76.8065	39.0202	57.5091
52	2.043	-2.0555	-1.194	5.7577	4.1844	3.1246	-0.6933	0.7924	0.2908	-0.9049	-0.5352	-0.2767	-1.3472	-0.3927	1.1944	0.7342	-0.1507	-0.0818	0.6785	0.0284	0.8921	83.4615	40.5202	52.8859
53	9.027	-0.7954	4.9131	5.806	0.8904	4.4324	0.2179	0.8382	-0.0842	-0.0513	-0.1253	-0.7339	-0.7143	1.525	0.0884	0.4631	-0.1073	0.0464	0.9713	-0.1072	0.5018	81.1951	35.0814	42.7829
54	3.2174	-2.2247	-1.0121	2.9742	-0.6044	7.2213	0.3269	-1.2533	0.4847	1.0115	0.9583	0.5263	0.1012	-0.3418	-0.7907	0.3591	0.1099	-0.3262	0.5359	-0.219	0.601	60.6377	36.2925	52.6673
55	3.7926	3.9802	-1.1037	2.0053	5.9407	7.8388	-0.8108	1.9028	1.4348	-1.3832	-0.9289	1.293	-0.6584	0.7828	1.4849	0.6435	0.0994	-0.1326	1.1181	0.149	0.6098	75.1616	30.1004	36.7865
56	4.6873	1.4628	0.8139	5.1382	0.3437	6.0448	-0.0592	0.8455	-0.3578	0.0049	0.1604	0.0532	0.6008	0.109	-0.1156	0.3707	0.1363	-0.1268	0.4672	-0.1062	0.425	68.5166	30.6541	50.4411
57	7.7522	-1.2081	1.503	9.095	-0.4097	4.4176	0.0054	-0.1056	0.0974	-0.2788	0.3135	-0.1365	-0.4447	-0.4278	-0.4683	0.2553	0.0248	0.0294	0.4171	-0.0208	0.2772	69.1594	33.556	54.6591
58	3.5326	-1.7365	0.8981	5.6487	2.115	1.7677	0.455	-0.095	-0.5615	1.0219	0.409	0.8056	-1.1581	0.6155	0.0167	0.8117	0.4473	0.4266	1.4946	-0.679	-0.2695	65.0318	30.8586	77.0682
59	2.262	0.6842	-1.8046	1.7229	0.0947	2.4577	0.2269	2.1811	2.2112	0.757	1.0875	0.771	-0.514	-0.1909	-1.0817	0.9852	-0.0324	-0.076	1.0116	0.204	0.9734	62.7817	18.4963	72.7363
60	8.8127	-0.0376	-0.0809	8.4864	-3.7507	6.4619	-0.2861	-1.2224	-1.3621	0.1813	0.9014	0.4887	1.0097	-1.8487	-0.5663	0.6679	-0.0352	-0.0823	0.9561	0.1144	0.7018	57.7796	21.9347	61.3887
61	1.5407	-0.2253	0.0767	9.7013	-0.3355	2.8322	-0.6362	-0.1328	-0.0303	-1.1627	0.8988	0.8618	0.0054	-0.5123	-0.2053	0.6742	0.1637	-0.0408	0.7845	-0.0424	0.4771	68.1402	21.7595	68.6181
62	3.4003	2.7013	0.2355	2.1947	0.5762	1.6648	-0.4405	-0.9199	0.6685	0.7064	0.4186	1.1352	-0.8701	-0.6204	0.0605	0.6846	0.2815	0.1762	0.6313	-0.0535	0.4908	67.5052	35.3889	68.6083
63	8.5329	0.3779	9.9444	5.5446	1.6129	1.9582	1.0215	-1.5003	-0.7459	0.7677	-0.5381	0.958	2.3693	-1.4438	-1.0904	0.8304	0.2639	-0.2576	0.3458	-0.025	0.6362	76.4424	13.3489	68.922
64	6.4653	0.0429	-0.3007	6.444	0.2645	7.4122	-0.1396	-0.0146	0.5908	0.4504	0.1475	0.6401	-0.2698	-0.7024	0.0462	0.3584	0.1279	-0.0424	0.43	-0.0069	0.3841	66.366	29.5895	65.3008
65	9.2388	3.3357	3.8368	2.1938	0.281	8.9232	0.4001	-0.9929	-0.9032	0.3916	0.5555	-0.108	-0.4739	-1.117	-0.8842	0.6243	0.1023	0.0075	1.1227	0.1339	0.8497	60.7295	54.0258	8.7535
66	0.5543	-0.0801	-0.1236	1.1012	0.2583	-0.0946	0.1834	-0.9417	0.3142	-0.7514	-0.2453	1.4493	0.5009	-1.0401	0.0064	0.8747	-0.1052	-0.325	0.8238	0.055	1.1233	61.061	51.5756	-0.8225
67	6.0134	2.6108	0.6423	7.702	-2.8957	8.9188	0.0816	-0.5273	-0.3573	-0.5051	-0.1405	0.8121	0.5167	-0.391	0.0219	0.4668	-0.0204	-0.1195	0.7027	0.0354	0.3527	70.8024	52.8163	3.3952
68	8.6686	-6.9179	-5.3156	2.2072	5.1838	4.6567	-0.936	-1.4186	0.3525	0.7323	1.2145	0.1715	0.5137	0.343	0.0239	0.712	-0.139	-0.1165	0.5232	0.0494	0.5971	67.8519	55.4816	-2.0044
69	4.9259	0.1933	1.8382	5.6201	-2.5133	7.4754	-0.5066	1.1536	-0.0128	-0.7081	0.0775	-0.0707	-0.7129	1.2214	0.3837	1.118	-0.1981	-0.1567	0.7795	0.0352	0.6068	76.0824	65.2021	-13.9932
70	3.1494	-0.7282	-0.7147	3.0907	-2.6945	3.6004	0.1659	1.681	0.1021	-0.6672	-0.0733	-0.0447	-0.1068	1.2879	-0.0806	1.0001	-0.2127	0.0433	0.9941	0.1039	0.6997	84.8767	64.9593	-11.188
71	8.1692	-0.8896	-2.5614	3.2294	2.1228	5.2047	0.4636	0.2348	-0.6782	-0.8033	0.1761	0.2718	0.1257	0.1536	-0.4276	0.9238	-0.0674	-0.2635	0.5752	0.1035	0.5582	72.6811	60.0063	-18.6754
72	3.8066	0.2815	0.2459	0.9847	-2.0492	4.5889	-0.0624	0.8487	0.3851	-0.7326	0.0993	0.0534	0.2594	0.015	-0.0745	0.76	-0.0575	-0.3733	0.6097	0.0821	0.615	68.9568	60.705	-14.8494

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 16 through 26 )	A
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 27 through 36 )	A
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 37 through 59 )	A
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 60 through 81 )	A
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 82 through 103 )	A
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 104 through 113 )	A
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 114 through 143 )	A
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 17 through 24 )	B
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 25 through 48 )	B
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 49 through 53 )	B
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 54 through 70 )	B
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 71 through 81 )	B
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 82 through 103 )	B
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 104 through 142 )	B
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 15 through 26 )	C
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 27 through 60 )	C
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 61 through 73 )	C
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 74 through 116 )	C
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 117 through 143 )	C
20	X-RAY DIFFRACTION	20	chain 'D' and (resid 18 through 26 )	D
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 27 through 36 )	D
22	X-RAY DIFFRACTION	22	chain 'D' and (resid 37 through 43 )	D
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 44 through 48 )	D
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 49 through 53 )	D
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 54 through 70 )	D
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 71 through 81 )	D
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 82 through 90 )	D
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 91 through 117 )	D
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 118 through 129 )	D
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 130 through 142 )	D
31	X-RAY DIFFRACTION	31	chain 'E' and (resid 18 through 26 )	E
32	X-RAY DIFFRACTION	32	chain 'E' and (resid 27 through 36 )	E
33	X-RAY DIFFRACTION	33	chain 'E' and (resid 37 through 60 )	E
34	X-RAY DIFFRACTION	34	chain 'E' and (resid 61 through 73 )	E
35	X-RAY DIFFRACTION	35	chain 'E' and (resid 74 through 81 )	E
36	X-RAY DIFFRACTION	36	chain 'E' and (resid 82 through 90 )	E
37	X-RAY DIFFRACTION	37	chain 'E' and (resid 91 through 113 )	E
38	X-RAY DIFFRACTION	38	chain 'E' and (resid 114 through 127 )	E
39	X-RAY DIFFRACTION	39	chain 'E' and (resid 128 through 143 )	E
40	X-RAY DIFFRACTION	40	chain 'F' and (resid 15 through 24 )	F
41	X-RAY DIFFRACTION	41	chain 'F' and (resid 25 through 36 )	F
42	X-RAY DIFFRACTION	42	chain 'F' and (resid 37 through 46 )	F
43	X-RAY DIFFRACTION	43	chain 'F' and (resid 47 through 51 )	F
44	X-RAY DIFFRACTION	44	chain 'F' and (resid 52 through 81 )	F
45	X-RAY DIFFRACTION	45	chain 'F' and (resid 82 through 103 )	F
46	X-RAY DIFFRACTION	46	chain 'F' and (resid 104 through 116 )	F
47	X-RAY DIFFRACTION	47	chain 'F' and (resid 117 through 127 )	F
48	X-RAY DIFFRACTION	48	chain 'F' and (resid 128 through 143 )	F
49	X-RAY DIFFRACTION	49	chain 'G' and (resid 18 through 26 )	G
50	X-RAY DIFFRACTION	50	chain 'G' and (resid 27 through 36 )	G
51	X-RAY DIFFRACTION	51	chain 'G' and (resid 37 through 60 )	G
52	X-RAY DIFFRACTION	52	chain 'G' and (resid 61 through 73 )	G
53	X-RAY DIFFRACTION	53	chain 'G' and (resid 74 through 81 )	G
54	X-RAY DIFFRACTION	54	chain 'G' and (resid 82 through 103 )	G
55	X-RAY DIFFRACTION	55	chain 'G' and (resid 104 through 113 )	G
56	X-RAY DIFFRACTION	56	chain 'G' and (resid 114 through 125 )	G
57	X-RAY DIFFRACTION	57	chain 'G' and (resid 126 through 143 )	G
58	X-RAY DIFFRACTION	58	chain 'H' and (resid 18 through 26 )	H
59	X-RAY DIFFRACTION	59	chain 'H' and (resid 27 through 36 )	H
60	X-RAY DIFFRACTION	60	chain 'H' and (resid 37 through 70 )	H
61	X-RAY DIFFRACTION	61	chain 'H' and (resid 71 through 90 )	H
62	X-RAY DIFFRACTION	62	chain 'H' and (resid 91 through 103 )	H
63	X-RAY DIFFRACTION	63	chain 'H' and (resid 104 through 116 )	H
64	X-RAY DIFFRACTION	64	chain 'H' and (resid 117 through 143 )	H
65	X-RAY DIFFRACTION	65	chain 'I' and (resid 18 through 43 )	I
66	X-RAY DIFFRACTION	66	chain 'I' and (resid 44 through 90 )	I
67	X-RAY DIFFRACTION	67	chain 'I' and (resid 91 through 124 )	I
68	X-RAY DIFFRACTION	68	chain 'I' and (resid 131 through 143 )	I
69	X-RAY DIFFRACTION	69	chain 'J' and (resid 19 through 59 )	J
70	X-RAY DIFFRACTION	70	chain 'J' and (resid 60 through 70 )	J
71	X-RAY DIFFRACTION	71	chain 'J' and (resid 71 through 90 )	J
72	X-RAY DIFFRACTION	72	chain 'J' and (resid 91 through 142 )	J

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