PDB-6iy0: Crystal structure of conserved hypothetical protein SAV0927 from ...

ID or keywords:

Entry

Database: PDB / ID: 6iy0

Title

Crystal structure of conserved hypothetical protein SAV0927 from Staphylococcus aureus subsp. aureus Mu50

Components

SAV0927

Keywords

UNKNOWN FUNCTION / DUF3055 / SAV0927 / Staphylococcus aureus

Function / homology

SAV0927-like / SAV0927-like / Cytosolic protein

Function and homology information

Biological species

Staphylococcus aureus (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 2.5 Å

Authors

Jeong, S. / Ha, N.-C.

Citation

Journal: J Microbiol Biotechnol. / Year: 2019
Title: Crystal Structure of SAV0927 and Its Functional Implications.
Authors: Jeong, S. / Kim, H.J. / Ha, N.C. / Kwon, A.R.

History

Deposition	Dec 12, 2018	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Dec 18, 2019	Provider: repository / Type: Initial release
Revision 1.1	Jul 1, 2020	Group: Database references / Category: citation / citation_author Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

Summary document	6iy0_validation.pdf.gz	513.7 KB	Display	wwPDB validaton report
Full document	6iy0_full_validation.pdf.gz	527.1 KB	Display
Data in XML	6iy0_validation.xml.gz	25.3 KB	Display
Data in CIF	6iy0_validation.cif.gz	35.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/iy/6iy0 ftp://data.pdbj.org/pub/pdb/validation_reports/iy/6iy0	HTTPS FTP

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Related structure data

Similar structure data	4ghj-d 1tjx-d 1a43-1 3obu-d 3p9g-d 4yc1-3 4s1o-1 1dy8-2 3obx-d 6g7v-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

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: SAV0927

B: SAV0927

C: SAV0927

D: SAV0927

E: SAV0927

F: SAV0927

G: SAV0927

H: SAV0927

I: SAV0927

J: SAV0927

hetero molecules

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

1

A: SAV0927

B: SAV0927

defined by author&software
Evidence: gel filtration, SEC-MALS, dimer, light scattering, SEC-MALS, dimer
22.9 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: SAV0927

D: SAV0927

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

3

E: SAV0927

F: SAV0927

hetero molecules

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

4

G: SAV0927

H: SAV0927

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

5

I: SAV0927

J: SAV0927

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

Unit cell

Length a, b, c (Å)	128.181, 76.754, 43.571
Angle α, β, γ (deg.)	90.00, 90.35, 90.00
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	SAV0927 Mass: 11450.040 Da / Num. of mol.: 10 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Staphylococcus aureus (bacteria) / Strain: Mu50 / ATCC 700699 / Gene: SAV0927 / Variant: Mu50 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A0H3JQV2
#2: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Cl
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 12 / 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: 1.98 Å³/Da / Density % sol: 38.1 %
Crystal grow	Temperature: 287 K / Method: vapor diffusion, hanging drop / pH: 7.5 / Details: Tris-HCl pH 7.5, ammonium sulfate

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: PAL/PLS / Beamline: 7A (6B, 6C1) / Wavelength: 0.97934 Å
Detector	Type: ADSC QUANTUM 270 / Detector: CCD / Date: Mar 28, 2018
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97934 Å / Relative weight: 1
Reflection	Resolution: 2.5→50 Å / Num. obs: 29554 / % possible obs: 99.3 % / Redundancy: 6.6 % / R_merge(I) obs: 0.081 / Net I/σ(I): 18.9
Reflection shell	Resolution: 2.5→2.54 Å / Redundancy: 6 % / R_merge(I) obs: 0.397 / Mean I/σ(I) obs: 6.7 / Num. unique obs: 1495 / % possible all: 99.3

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Processing

Software

Name	Version	Classification
PHENIX	(1.13_2998: ???)	refinement
HKL-2000		data reduction
HKL-2000		data scaling
PHASER		phasing

Refinement

Method to determine structure:

SAD / Resolution: 2.5→28.799 Å / SU ML: 0.3 / Cross valid method: FREE R-VALUE / σ(F): 0.18 / Phase error: 30.52

	R_factor	Num. reflection	% reflection
R_free	0.2781	2011	6.87 %
R_work	0.2366	-	-
obs	0.2395	29255	98.21 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å

Refinement step

Cycle: LAST / Resolution: 2.5→28.799 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	5913	0	1	12	5926

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.003	6016
X-RAY DIFFRACTION	f_angle_d	0.518	8112
X-RAY DIFFRACTION	f_dihedral_angle_d	2.445	3662
X-RAY DIFFRACTION	f_chiral_restr	0.043	894
X-RAY DIFFRACTION	f_plane_restr	0.002	1054

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 (%)
2.4901-2.5523	0.3059	132	0.2518	1859	X-RAY DIFFRACTION	92
2.5523-2.6213	0.3211	141	0.2412	1898	X-RAY DIFFRACTION	97
2.6213-2.6984	0.3385	151	0.2526	1935	X-RAY DIFFRACTION	98
2.6984-2.7854	0.314	141	0.2608	1902	X-RAY DIFFRACTION	99
2.7854-2.8848	0.2827	145	0.2568	1978	X-RAY DIFFRACTION	99
2.8848-3.0002	0.3297	147	0.2589	1921	X-RAY DIFFRACTION	99
3.0002-3.1366	0.3047	143	0.2409	1999	X-RAY DIFFRACTION	100
3.1366-3.3018	0.2661	147	0.2294	1963	X-RAY DIFFRACTION	100
3.3018-3.5083	0.2893	141	0.2337	1955	X-RAY DIFFRACTION	100
3.5083-3.7786	0.2464	142	0.2126	1967	X-RAY DIFFRACTION	99
3.7786-4.1579	0.2654	142	0.2207	1970	X-RAY DIFFRACTION	100
4.1579-4.7572	0.2282	147	0.1923	1992	X-RAY DIFFRACTION	99
4.7572-5.9847	0.2438	154	0.2344	1976	X-RAY DIFFRACTION	99
5.9847-28.8005	0.3106	138	0.2917	1929	X-RAY DIFFRACTION	94

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	5.9372	-1.0916	0.7409	4.8077	-1.5036	3.2989	0.0384	-0.6981	1.583	0.6006	0.7655	0.7702	-1.1014	-0.9764	-0.6275	0.3821	0.1508	0.2536	0.7513	-0.0252	0.8055	12.5012	36.2194	37.3163
2	6.4772	2.7122	-3.2937	2.5354	-1.9455	2.93	-0.5343	0.4157	-0.4142	-0.167	0.1231	-0.1119	0.4592	0.0639	0.4643	0.349	0.0376	0.1517	0.8005	0.2988	0.4978	25.2633	17.0955	43.9154
3	3.1307	-2.4543	-0.3009	2.9789	0.092	1.7844	0.2259	-0.157	-0.073	-0.0248	-0.2505	0.0886	-0.4413	-0.091	-0.1851	0.2387	0.0429	0.253	0.6354	-0.1269	0.4639	17.9837	25.0538	40.1004
4	1.9665	-0.7194	0.6037	1.0914	-0.1631	0.1887	-0.0954	-0.0259	0.2887	0.1499	0.1224	0.5849	-0.2028	-0.9155	-0.1447	0.2804	0.0766	0.2227	0.8752	-0.06	0.874	8.9511	27.2528	36.0742
5	0.2754	-0.3221	0.1412	1.7479	-0.3861	0.2107	-0.105	-0.5589	-0.6272	-0.0311	-0.0291	0.0881	0.121	0.3189	0.2775	0.063	0.0236	0.1869	0.6628	-0.3239	0.8676	17.1127	18.2629	32.5196
6	5.8017	-0.5542	-0.8646	4.3545	0.6886	4.8117	0.1206	-0.6852	-0.1444	0.2707	0.1714	-0.1572	0.18	0.2665	-0.1519	0.5417	0.0086	0.3973	0.5408	-0.0117	1.1179	16.3242	12.9435	42.3107
7	2.1642	3.842	-3.151	9.7063	-8.1995	6.9409	0.0872	-2.5641	-0.9816	1.7925	-1.4208	-0.9186	-0.1263	1.4657	1.313	0.6783	0.2285	0.0824	1.5401	0.1836	0.6859	25.1753	15.5033	50.8402
8	9.0917	-5.1406	5.2837	8.084	-5.6064	4.4365	-0.6851	-1.1447	0.9158	1.1046	0.0927	0.0978	-0.5371	-0.6488	0.4624	0.5613	-0.1864	0.2354	0.6457	-0.3451	0.6863	18.9154	33.5393	43.0625
9	2.9719	-2.4262	3.0728	3.1383	-2.4475	3.3408	0.0184	0.4614	0.9272	-0.7265	-0.1353	0.8999	0.6729	-1.4574	0.1329	0.4781	-0.2349	-0.0908	0.7771	-0.0013	0.7255	11.5167	34.82	21.6343
10	2.8015	-1.5393	3.2206	7.8981	0.3516	4.4089	0.2399	-0.4801	1.1789	0.579	-0.2915	0.8481	-0.1224	-0.8317	0.1875	0.3388	-0.0224	0.1311	0.4195	-0.034	1.0738	17.8897	35.7807	33.4044
11	2.4261	2.8046	1.818	4.5592	1.7257	1.4688	-0.1795	-0.0624	0.2182	0.1755	0.0991	-0.4959	-0.3322	0.2292	-0.1209	0.3153	-0.0991	-0.0628	0.5153	-0.3891	0.7256	27.8285	35.5384	38.5022
12	3.9333	3.1667	1.6128	3.4079	1.8763	6.1279	-0.048	0.459	0.1757	-0.3832	0.1686	-0.0352	-0.2474	0.0377	-0.0087	0.3156	-0.1129	0.0459	0.3434	-0.1562	0.3655	19.4105	32.1707	28.8949
13	8.8649	1.8526	3.2531	9.5657	1.2407	6.2336	-0.1764	0.7808	-0.069	-0.7892	0.2782	0.6584	0.11	-0.4068	-0.0493	0.3146	-0.0999	0.1242	0.546	-0.24	0.5146	18.3034	27.5926	26.6863
14	0.8133	0.6764	0.5122	2.5364	2.2987	2.0995	0.5125	0.0937	0.7695	-0.3005	-0.5951	-0.8387	-0.1578	0.4277	0.0528	0.541	-0.0128	0.2224	1.0681	-0.1717	0.9126	31.2221	34.9158	24.7491
15	5.661	2.074	1.8056	6.1603	1.3057	0.9655	0.6229	0.9239	0.0863	-0.94	0.3058	-0.4557	0.2535	1.3631	-0.9313	0.6708	-0.0182	0.0312	0.8791	-0.2245	0.382	23.4257	28.0023	20.0802
16	8.6149	1.5042	0.4822	9.4983	-0.7315	0.8261	0.3855	0.5375	0.5265	-1.4485	-0.4087	-0.5011	-1.3813	0.947	-0.1141	0.9512	-0.1702	0.1059	1.0033	0.08	0.4942	21.3422	39.63	20.0108
17	4.5458	-2.7957	0.0575	3.2091	-0.5944	1.4681	-0.1989	-0.7175	0.5468	0.3754	0.1953	0.6921	-0.3258	-0.5486	0.0037	0.1424	0.0198	0.0429	0.5701	-0.2139	0.4771	34.0831	36.1415	48.9254
18	1.8419	1.1196	0.9093	3.3067	-0.2105	3.3902	-0.0332	-0.2507	0.1876	0.3241	0.046	0.3525	-0.226	-0.2996	0.1118	0.1491	-0.0637	-0.0584	0.0209	-0.0277	-0.0328	45.2553	24.9707	39.2579
19	4.4347	0.3659	-0.6915	2.7478	-0.3329	3.7058	-0.1784	0.4939	-0.2098	0.029	-0.1389	0.2223	-0.0799	-0.3454	-0.0179	0.0242	-0.1001	-0.0167	0.173	0.0051	0.1238	43.4251	27.4282	30.9997
20	5.8751	0.9986	-4.9838	5.147	-0.1846	4.5152	-0.4145	0.0276	-0.3023	0.1734	-0.0036	-0.0586	0.383	-0.1356	0.0868	0.1543	-0.0887	-0.0163	0.0764	-0.0654	0.0394	47.8884	19.1177	32.3742
21	6.1285	1.302	3.4489	1.9245	-1.4202	4.7545	0.2153	0.4882	-0.7128	-0.6564	0.0784	-0.8373	0.5111	0.3795	0.0187	0.3447	0.094	0.0642	0.0354	-0.0637	0.2374	56.9311	14.167	36.1741
22	0.391	-0.5297	-0.2562	1.7056	0.6417	1.1267	-0.0238	-0.1389	0.0622	0.2826	-0.1638	0.2658	0.0857	-0.2319	0.3809	0.1811	-0.0361	-0.0391	0.018	-0.1243	0.0353	52.1214	20.8192	47.5994
23	3.308	-2.0049	-0.9306	4.5572	1.185	0.3781	-0.3829	-0.4113	0.3952	0.3957	0.0324	0.2973	-0.5485	-0.3634	0.0466	0.2999	0.0644	-0.0488	0.3487	-0.2351	0.4369	35.2604	39.7183	45.5629
24	5.4147	-2.3529	1.3774	7.349	-0.0175	5.1457	-0.3827	-0.3024	-0.1182	1.0398	-0.0234	0.2019	-0.0813	0.0594	0.1025	0.2973	0.0115	0.0084	0.1758	-0.0936	0.1487	46.9316	35.0372	50.4212
25	3.1296	1.1759	1.3734	6.0902	2.5104	5.3902	-0.1561	-0.1521	0.4773	-0.4797	-0.1215	0.5949	-0.379	-0.3403	0.6526	0.323	0.0429	-0.0746	0.0568	-0.1214	0.1152	42.5781	38.6238	40.1251
26	5.4399	1.9359	-4.7303	7.6676	-4.7954	5.5012	0.0103	-0.4371	1.0445	0.2214	-0.1824	-0.0373	-0.8836	1.7334	0.1117	0.6984	-0.1605	-0.0411	0.3928	-0.024	0.4856	51.4405	49.8364	45.4191
27	2.9222	-0.3281	-3.017	4.0302	-0.7513	4.2408	0.2695	-0.3062	0.9868	-0.1458	-0.0543	0.7154	-0.939	-0.226	0.1225	0.5572	0.0541	-0.2021	0.2376	-0.2319	0.5917	42.4904	49.0681	41.1237
28	7.3024	-1.376	-5.2837	4.1481	1.02	6.6003	-0.1904	-0.2695	-0.5724	0.1352	0.0206	0.2212	0.2816	-0.1687	-0.0271	0.1599	-0.1897	0.0034	0.2817	0.0812	0.2476	54.1583	30.6031	63.1071
29	2.019	1.2248	-0.673	1.9447	0.9322	2.7072	0.168	-0.0601	-0.0845	-0.3659	-0.1179	0.0381	0.103	0.044	-0.0215	0.2095	0.0167	-0.0623	0.1134	0.0274	0.1497	72.3668	33.739	46.1368
30	4.3382	0.7124	-0.7053	3.0141	0.6703	3.0765	0.0851	0.466	-0.1325	-0.5191	0.0489	-0.0178	0.2431	0.0423	-0.0058	0.1931	0.0302	0.0125	0.0779	-0.0494	-0.1	69.8782	40.771	42.258
31	2.0008	-1.0918	6.8948	5.1061	-5.5884	9.416	-0.194	1.715	1.5353	-1.2022	-0.4961	-1.0381	-1.4387	1.12	0.702	0.7237	0.0857	0.2105	0.4466	0.1892	0.4104	85.2482	36.9279	37.548
32	3.5885	1.7792	-2.4387	1.4453	-2.2377	4.2143	-0.2226	-0.0907	-0.2087	-0.2482	0.3443	0.114	0.7056	-0.3857	-0.2908	0.3123	0.0811	0.0394	0.239	0.0827	0.0692	80.7367	28.5939	47.366
33	1.4368	0.3542	-1.0283	0.2882	-0.1563	0.7831	-0.1628	-0.1118	-0.4038	-0.1908	-0.1119	-0.2165	0.2898	0.2715	0.2956	0.5645	0.1788	0.094	0.3323	0.2912	0.6554	69.0522	23.6193	55.2014
34	6.4498	0.1902	-1.1648	4.3682	-1.637	4.9819	0.2513	-0.5698	0.3565	0.5911	0.0962	0.4572	-0.3724	-0.4097	-0.6478	0.2168	-0.1375	0.0506	0.2752	0.1028	0.0558	54.2266	37.9908	62.7981
35	3.4046	-3.1828	0.3008	7.186	-2.2011	1.389	-0.0446	0.1821	-0.079	-0.5441	-0.0073	-0.0818	0.3685	-0.0454	-0.0411	0.681	-0.1733	0.0582	0.2721	0.0512	0.4099	66.41	30.0334	58.6564
36	1.1097	-0.8487	0.7498	1.5965	-1.2031	2.4068	0.0387	-0.6165	-0.2636	0.357	-0.1021	-0.1718	-0.0067	0.0672	-0.2598	0.2451	-0.1358	-0.042	0.3657	0.1795	0.0807	69.4482	36.8922	61.5903
37	5.3458	-1.0037	1.7483	1.9856	-1.0223	2.0981	0.0311	-0.4094	0.1556	0.349	-0.0808	-0.0352	-0.4263	0.1376	-0.3327	0.4771	-0.1453	0.0856	0.3841	-0.0814	0.144	66.5089	46.8449	65.0378
38	7.0486	-3.9411	-0.2509	4.0471	1.6991	5.6499	0.0112	-1.3386	-0.038	1.0144	0.2718	0.0562	0.1265	-0.0025	-0.1626	0.4025	-0.2339	0.0285	0.6024	-0.0395	0.1833	60.7895	38.6162	69.4383
39	1.6869	-2.9377	3.5921	5.4606	-5.6148	8.8346	0.556	-0.6027	-1.6562	0.6918	-0.0931	1.0349	0.9941	-0.8818	-0.461	0.6982	-0.1367	-0.0607	0.4218	0.0891	1.3553	77.7246	16.0613	68.572
40	8.1817	6.7008	-1.5336	7.8544	-1.2074	2.8458	-0.5904	0.7523	-0.2878	-1.0149	0.2445	-0.2418	0.3495	0.3828	0.3533	0.452	0.1327	-0.0359	0.3598	0.0621	0.4949	89.7359	27.3695	56.2921
41	4.4428	0.8759	-1.2376	1.8531	-0.418	6.237	0.1225	-0.1138	0.8121	0.3703	-0.1639	-0.3465	-0.6951	0.4549	0.2463	0.3398	-0.0669	-0.182	0.4366	0.2377	0.9755	102.3831	46.7846	66.5303
42	4.7243	4.3691	1.6574	8.4691	1.3783	3.3097	0.4777	0.1525	-0.5448	-0.6376	-0.3114	-0.8753	0.1122	-0.0238	0.0208	0.2868	-0.0217	0.0371	0.6301	0.1917	0.2871	87.8051	35.6504	56.9677
43	1.944	-3.2588	1.7995	5.8999	-3.7854	3.019	0.103	-0.132	0.332	-0.3357	0.1134	-0.1099	0.0766	-0.7571	-0.1588	0.2066	0.012	0.004	0.2603	0.1574	0.382	92.2555	39.3222	63.9224
44	5.8344	-0.9635	2.9042	1.4093	-0.5008	4.549	-0.1867	-0.0307	0.2275	0.4078	-0.0992	-0.682	-0.1167	0.5402	0.2142	0.1091	-0.0011	-0.1151	0.3095	0.2221	0.3469	92.5162	38.9827	68.9686
45	4.5444	-4.4536	4.8758	5.1277	-5.1738	5.4364	0.234	-0.066	0.4705	-0.3225	0.1345	0.556	-0.4471	-1.116	-0.3406	0.9107	0.1975	-0.0637	0.5797	0.1658	0.6198	83.8516	50.8201	62.3972
46	4.3524	-0.6422	-0.5938	2.7504	1.1117	3.4659	0.1817	-0.2109	0.376	1.2832	0.0075	-0.0042	-0.5495	-0.0066	-0.1838	0.7189	0.0348	-0.2396	0.2275	0.0517	0.6118	88.7722	46.7694	71.0646
47	1.328	-0.3447	-0.485	5.9033	4.7907	4.8483	0.2318	0.3441	0.6683	-0.4562	0.2141	-0.3907	-1.5886	-0.0969	-0.392	0.6109	-0.029	-0.0941	0.3723	0.2487	1.1458	94.6448	50.9637	63.105
48	7.443	4.2302	-1.2901	8.8098	-1.4213	3.2924	0.023	0.3639	0.1917	-0.0207	-0.18	-0.4264	-0.2185	0.3255	0.1486	0.1662	0.1233	-0.0146	0.2819	0.16	0.3616	92.8107	33.1142	63.9487
49	4.197	2.0324	-0.7045	3.7409	0.2493	7.5314	-0.1004	0.1009	-0.0277	-0.2156	0.1456	-0.9862	0.1664	1.3679	0.0377	0.1737	0.0635	0.0838	0.3853	0.0374	0.6912	99.1765	27.0837	64.0723
50	1.8811	0.5238	0.6014	5.3339	-1.91	5.1794	-0.2036	-0.2546	-0.5265	0.6192	0.1797	-0.0876	0.4417	0.2793	-0.0294	0.3192	0.1775	0.0403	0.1917	0.1683	0.3223	90.335	25.2251	75.0089
51	2.4494	2.93	-0.3329	4.4127	0.1323	3.8309	-1.1306	1.7133	-1.2467	-1.1766	1.045	-1.1281	-0.2241	0.3044	0.1304	0.4513	0.0301	0.0833	0.92	-0.1586	0.7642	111.7694	29.1432	57.4439
52	4.1766	-1.6506	-0.2075	4.0389	-0.3332	2.6504	0.4473	0.4629	0.3184	-0.5091	-0.1135	0.417	-0.178	-0.3119	-0.2557	0.4437	0.2897	0.0613	1.2762	-0.0911	1.0588	121.8578	37.3079	74.988
53	7.3442	1.6813	5.8277	3.4187	0.6533	4.9702	-0.3534	0.8238	-0.43	-0.6419	-0.4899	-1.0858	0.5425	2.5167	0.9025	0.544	0.2122	0.0712	1.2203	-0.0461	0.7924	119.3377	35.7149	75.7211
54	3.6355	-4.1081	1.6542	5.9598	-4.1308	7.6686	-0.3644	0.1041	-0.1391	0.5066	0.1844	0.3494	-0.118	0.0734	0.2272	0.5741	0.3194	-0.1743	0.9079	-0.1274	1.1202	110.6888	34.3068	72.6982
55	8.7811	1.9851	2.8638	6.1595	0.0013	3.181	0.2168	1.0657	-1.7965	-0.6676	-0.4714	-0.0903	-0.6642	-0.8285	0.1961	0.7009	0.3601	0.1334	1.0216	-0.155	1.1953	123.1382	38.6014	65.9673
56	1.596	-0.0298	0.3733	4.1795	1.8216	1.1527	0.1105	0.3095	-0.1859	-0.1016	0.1032	-0.2132	0.0394	0.0658	0.0214	0.3524	0.2858	0.006	0.9804	-0.2178	1.0937	113.9064	26.0019	60.8029
57	9.67	6.9194	0.7284	5.0762	1.0668	2.7084	0.2025	-0.0844	-0.2778	-0.3368	-0.5999	1.3286	-0.0253	-0.2849	0.3728	0.5861	0.3124	-0.2369	0.8219	-0.1268	0.9279	114.0521	24.2432	65.1975
58	0.0489	-0.1284	0.1019	4.4675	-0.8698	0.2999	0.0737	-0.2297	0.5216	-0.5052	-0.2586	-0.1032	0.0039	-0.482	0.0616	0.3072	0.0509	0.0295	1.1211	0.1309	0.7993	127.0206	33.5458	67.9325
59	7.6612	-0.0891	2.3951	0.1307	-0.0231	1.1392	0.1228	-0.2048	0.6469	0.0616	-0.2314	-0.0608	-0.2919	0.5721	0.0397	0.6654	-0.228	0.4155	1.0355	-0.1188	1.2876	130.3178	28.546	67.6639
60	5.9473	1.6011	0.5103	0.6554	0.3144	0.1834	-0.047	0.4413	-0.2492	-0.1068	0.3991	0.4546	0.2034	-0.3623	-0.272	0.4019	0.0136	-0.1577	0.9302	0.0729	0.9096	114.551	24.1485	70.0434

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 7 through 17 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 18 through 26 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 27 through 34 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 35 through 45 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 46 through 72 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 73 through 86 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 2 through 6 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 7 through 16 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 17 through 29 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 30 through 34 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 35 through 40 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 41 through 45 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 46 through 54 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 55 through 64 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 65 through 75 )
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 76 through 87 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 3 through 17 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 18 through 45 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 46 through 72 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 73 through 87 )
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 1 through 5 )
22	X-RAY DIFFRACTION	22	chain 'D' and (resid 6 through 10 )
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 11 through 29 )
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 30 through 40 )
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 41 through 54 )
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 55 through 63 )
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 64 through 86 )
28	X-RAY DIFFRACTION	28	chain 'E' and (resid 1 through 13 )
29	X-RAY DIFFRACTION	29	chain 'E' and (resid 14 through 40 )
30	X-RAY DIFFRACTION	30	chain 'E' and (resid 41 through 88 )
31	X-RAY DIFFRACTION	31	chain 'F' and (resid 1 through 5 )
32	X-RAY DIFFRACTION	32	chain 'F' and (resid 6 through 10 )
33	X-RAY DIFFRACTION	33	chain 'F' and (resid 11 through 15 )
34	X-RAY DIFFRACTION	34	chain 'F' and (resid 16 through 29 )
35	X-RAY DIFFRACTION	35	chain 'F' and (resid 30 through 34 )
36	X-RAY DIFFRACTION	36	chain 'F' and (resid 35 through 60 )
37	X-RAY DIFFRACTION	37	chain 'F' and (resid 61 through 72 )
38	X-RAY DIFFRACTION	38	chain 'F' and (resid 73 through 88 )
39	X-RAY DIFFRACTION	39	chain 'G' and (resid 2 through 6 )
40	X-RAY DIFFRACTION	40	chain 'G' and (resid 7 through 16 )
41	X-RAY DIFFRACTION	41	chain 'G' and (resid 17 through 29 )
42	X-RAY DIFFRACTION	42	chain 'G' and (resid 30 through 40 )
43	X-RAY DIFFRACTION	43	chain 'G' and (resid 41 through 45 )
44	X-RAY DIFFRACTION	44	chain 'G' and (resid 46 through 54 )
45	X-RAY DIFFRACTION	45	chain 'G' and (resid 55 through 63 )
46	X-RAY DIFFRACTION	46	chain 'G' and (resid 64 through 72 )
47	X-RAY DIFFRACTION	47	chain 'G' and (resid 73 through 87 )
48	X-RAY DIFFRACTION	48	chain 'H' and (resid 1 through 29 )
49	X-RAY DIFFRACTION	49	chain 'H' and (resid 30 through 40 )
50	X-RAY DIFFRACTION	50	chain 'H' and (resid 41 through 87 )
51	X-RAY DIFFRACTION	51	chain 'I' and (resid 6 through 10 )
52	X-RAY DIFFRACTION	52	chain 'I' and (resid 11 through 28 )
53	X-RAY DIFFRACTION	53	chain 'I' and (resid 29 through 33 )
54	X-RAY DIFFRACTION	54	chain 'I' and (resid 34 through 54 )
55	X-RAY DIFFRACTION	55	chain 'J' and (resid 11 through 15 )
56	X-RAY DIFFRACTION	56	chain 'J' and (resid 16 through 20 )
57	X-RAY DIFFRACTION	57	chain 'J' and (resid 27 through 31 )
58	X-RAY DIFFRACTION	58	chain 'J' and (resid 32 through 36 )
59	X-RAY DIFFRACTION	59	chain 'J' and (resid 37 through 41 )
60	X-RAY DIFFRACTION	60	chain 'J' and (resid 42 through 48 )

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