PDB-7ek8: Crystal structure of apo streptavidin at ambient temperature

ID or keywords:

Entry

Database: PDB / ID: 7ek8

Title

Crystal structure of apo streptavidin at ambient temperature

Components

Streptavidin

Keywords

STRUCTURAL PROTEIN /

Streptavidin / cooperative allostery /

ambient temperature / cryogenic temperature

Function / homology

Function and homology information

biotin binding / extracellular region
Similarity search - Function

Biological species

Streptomyces avidinii (bacteria)

Method

X-RAY DIFFRACTION /

FREE ELECTRON LASER /

FOURIER SYNTHESIS / Resolution: 1.7 Å

Authors

DeMirci, H. / Ertem, F.B. / Destan, E. / Ayan, E.

Funding support

United States,

Turkey, 2items

Citation

Journal: To Be Published
Title: Crystal structure of apo streptavidin at ambient temperature
Authors: DeMirci, H. / Ertem, F.B. / Destan, E. / Ayan, E.

History

Deposition	Apr 4, 2021	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Sep 29, 2021	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	7ek8.cif.gz	208.9 KB	Display	PDBx/mmCIF format
PDB format	pdb7ek8.ent.gz	178.8 KB	Display	PDB format
PDBx/mmJSON format	7ek8.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/ek/7ek8 ftp://data.pdbj.org/pub/pdb/validation_reports/ek/7ek8	HTTPS FTP

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Related structure data

Similar structure data	1kl4-d 5to2-d 1kl3-d 4bx6-d 6ud6-2 3os9-1 5n8e-d 1kff-d 1nc9-d 1n9y-d 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

Deposited unit

A: Streptavidin

B: Streptavidin

C: Streptavidin

D: Streptavidin

51.9 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author&software
Evidence: native gel electrophoresis

Unit cell

Length a, b, c (Å)	47.400, 87.700, 58.900
Angle α, β, γ (deg.)	90.000, 98.900, 90.000
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	Streptavidin / Mass: 12981.024 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptomyces avidinii (bacteria) / Production host: Escherichia coli (E. coli) / References: UniProt: P22629
#2: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 390 / 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: 2.33 Å³/Da / Density % sol: 47.2 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion, hanging drop Details: Pact PremierTM 100 mM MMT buffer pH 6.0 and 25 % w/v PEG 1500

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Data collection

Diffraction	Mean temperature: 298 K / Serial crystal experiment: N
Diffraction source	Source: FREE ELECTRON LASER / Site: SLAC LCLS / Beamline: MFX / Wavelength: 1 Å
Detector	Type: SLAC ePix10k 2M / Detector: PIXEL / Date: Aug 16, 2020
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 1.7→48.49 Å / Num. obs: 52270 / % possible obs: 99.96 % / Redundancy: 2 % / CC_1/2: 0.96 / Net I/σ(I): 7.66
Reflection shell	Resolution: 1.7→48.49 Å / CC_1/2: 0.96

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Processing

Software

Name	Version	Classification
HKL-2000		data scaling
PHENIX	dev_3318	refinement
PDB_EXTRACT	3.27	data extraction
CrystFEL		data reduction
PHENIX		phasing

Refinement

Method to determine structure:

FOURIER SYNTHESIS / Resolution: 1.7→48.488 Å / SU ML: 0.21 / Cross valid method: THROUGHOUT / σ(F): 1.36 / Phase error: 21.95 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2242	1932	3.7 %
R_work	0.1904	50338	-
obs	0.1917	52270	99.96 %

Solvent computation

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

Displacement parameters

B_iso max: 105.82 Å² / B_iso mean: 19.8536 Å² / B_iso min: 2.82 Å²

Refinement step

Cycle: final / Resolution: 1.7→48.488 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	3587	0	0	397	3984
B_iso mean	-	-	-	34.65	-
Num. residues	-	-	-	-	482

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / R_factor R_free error: 0 / % reflection obs: 100 %

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work
1.7-1.7425	0.3626	136	0.3706	3572
1.7425-1.7896	0.359	138	0.3155	3583
1.7896-1.8423	0.2805	136	0.2424	3559
1.8423-1.9018	0.2333	139	0.2008	3613
1.9018-1.9697	0.2251	137	0.1861	3577
1.9697-2.0486	0.2261	137	0.1796	3582
2.0486-2.1419	0.2036	139	0.1543	3587
2.1419-2.2548	0.1583	138	0.137	3622
2.2548-2.396	0.2147	138	0.1534	3566
2.396-2.581	0.2238	138	0.1654	3596
2.581-2.8407	0.2099	138	0.178	3601
2.8407-3.2517	0.2149	137	0.1835	3596
3.2517-4.0965	0.2357	140	0.1954	3624
4.0965-48	0.2216	141	0.2252	3660

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	1.6868	-0.3331	-0.9993	1.864	-1.1928	2.7288	-0.012	0.0782	-0.1683	-0.1074	-0.0462	-0.1155	0.3598	-0.0077	0.0888	0.1741	-0.0088	0.0552	0.0668	-0.0474	0.2043	65.6864	-23.0678	15.4324
2	3.2373	-0.2187	0.8594	4.582	-0.2923	3.2391	-0.0306	0.0703	0.3279	-0.5076	0.0081	-0.3261	-0.1011	0.1891	0.0216	0.2345	0.0348	0.0671	0.0746	-0.0249	0.1795	71.2792	-14.4031	11.6972
3	9.122	4.1666	-3.9937	4.6629	-2.5596	5.4313	0.1058	-0.1962	-0.2251	0.2917	0.0544	0.2694	0.1036	-0.0364	-0.1521	0.1807	0.029	0.07	0.07	0.0135	0.2324	61.2555	-22.5474	23.7516
4	9.8594	0.2382	-2.9027	2.4937	-1.512	3.299	-0.2145	-0.2792	-0.5177	-0.1418	-0.0115	-0.0949	0.228	0.037	0.2097	0.0902	0.0092	0.0132	0.0639	-0.0047	0.1003	64.2266	-18.3332	24.4441
5	3.9841	4.2825	-0.4091	7.3613	-1.0886	6.4186	-0.2344	-0.0023	-0.423	-0.5067	-0.1165	-0.5405	0.1187	0.2584	0.2952	0.1461	0.033	0.0569	0.1498	-0.0037	0.1619	76.4349	-9.7845	18.28
6	0.0514	-0.0042	-0.3742	0.0002	0.0302	2.7288	-0.0547	0.2934	-0.6156	-0.2866	-0.0339	-0.4678	0.3591	0.4838	0.0535	0.0816	0.0345	0.0351	0.1467	-0.0248	0.3082	76.9611	-14.5234	24.3397
7	9.4959	1.3403	0.7065	0.9917	0.9079	0.9363	-0.0131	-0.2054	-0.268	0.0403	0.012	-0.0341	0.1664	-0.0024	0.0064	0.083	-0.0194	0.0053	0.0357	0.0097	0.1027	61.6441	-15.3666	27.1912
8	2.5261	1.4091	0.2522	2.3907	0.5397	0.5129	-0.0481	0.0822	-0.2505	-0.1315	0.0531	0.1483	0.1663	-0.1201	0.0177	0.1538	-0.0964	-0.0064	0.0663	0.0076	0.1711	49.2787	-21.2067	20.4382
9	3.1553	-0.3938	1.2845	0.1265	-0.5289	2.2801	-0.0051	0.1575	-0.3465	-0.1608	-0.1424	0.6628	0.2848	-0.3053	0.1822	0.2519	-0.1427	-0.0533	0.1391	-0.0791	0.231	47.4942	-20.2396	12.9312
10	4.2757	-0.582	-0.9404	2.1696	-0.8759	0.938	-0.0406	0.068	-0.2008	-0.0924	0.0548	-0.1284	0.0629	0.0115	-0.0445	0.054	-0.0447	0.0088	0.0386	-0.004	0.1088	61.545	-12.5363	21.9006
11	3.3977	-0.5845	3.6917	7.539	2.0976	6.0665	-0.0726	-0.31	-0.2258	0.3235	0.0812	-0.2489	0.2209	0.246	-0.0318	0.0634	0.0082	-0.001	0.1252	0.0127	0.0857	74.3355	-9.2531	28.3031
12	4.8316	-3.4993	2.6333	3.6448	-3.3133	3.3258	-0.006	0.1346	-0.098	-0.3676	-0.0757	-0.6944	0.3474	0.5371	0.0042	0.1029	0.0382	0.0154	0.167	-0.0076	0.2369	78.8994	-7.2722	27.7738
13	1.971	2.5709	2.5951	3.7794	3.0029	3.7624	-0.0523	0.017	-0.1233	0.0458	0.0362	-0.082	-0.003	0.0192	-0.0259	0.06	-0.0218	-0.024	0.041	-0.017	0.073	64.497	-6.8681	20.9431
14	0.7674	-0.5441	0.3422	2.6139	-0.0533	1.3113	0.0808	0.2158	-0.5667	-0.3235	0.081	0.1014	0.267	0.0365	-0.2019	0.2636	-0.0896	-0.002	0.0714	-0.0857	0.2013	55.5971	-20.713	10.7512
15	0.4738	1.1488	0.7177	4.4893	1.3857	1.2814	-0.007	0.2571	-0.3444	-0.3529	0.0946	-0.0991	0.2826	0.0415	-0.2517	0.1986	-0.0494	0.0122	0.0774	-0.0909	0.1694	59.9868	-17.6577	9.5351
16	1.7523	1.2213	-0.6709	4.864	2.2204	4.2518	-0.1125	0.0576	0.0495	-0.074	0.0832	-0.0396	-0.0631	0.0581	-0.0183	0.0285	-0.0209	-0.0369	0.0504	-0.029	0.1071	64.6187	-2.4258	18.6351
17	4.7909	2.6873	2.461	3.6029	-1.7213	5.8556	0.0283	-0.1439	0.6109	0.3148	-0.0494	0.2121	-0.5702	0.0081	0.0456	0.2092	-0.0359	-0.0225	0.0605	-0.019	0.2217	67.7642	11.4293	26.2072
18	1.3947	-0.3293	-0.1956	1.8734	-0.0169	1.394	-0.0438	-0.0294	0.394	-0.0011	0.0344	-0.1947	-0.3324	0.2063	-0.0422	0.0987	-0.0603	-0.0141	0.0445	-0.0272	0.1324	66.0444	6.0196	17.9686
19	1.6578	-2.8058	0.3044	7.1058	-0.4022	0.0612	0.014	0.178	-0.016	-0.6474	0.0016	0.0104	0.1218	0.1033	-0.0298	0.1631	-0.0191	0.0238	0.06	-0.0388	0.1267	64.1582	-11.6485	10.2756
20	2.9215	-1.5649	-1.0884	4.6024	3.8176	4.1077	0.0925	0.1904	0.0675	-0.4866	0.0918	-0.4109	-0.2854	0.1476	-0.1687	0.435	0.088	0.1126	0.1523	-0.0399	0.2136	70.1026	-21.7127	8.4358
21	0.1876	-0.7201	0.0926	4.1	-2.3365	2.9777	0.038	-0.7004	0.2072	0.3788	0.0013	-0.7241	-0.3244	0.7087	0.0158	0.1034	0.0157	-0.0261	0.1999	-0.0516	0.1575	60.2165	-1.432	40.5139
22	6.3776	0.0961	4.4717	4.0357	-0.4789	8.2488	-0.1456	0.7618	0.6871	-0.5344	-0.0693	0.3591	-0.6184	-0.2033	0.2159	0.1805	0.0194	-0.0469	0.1623	0.0272	0.0967	49.3258	3.0147	33.2879
23	8.8261	-3.0472	3.0739	6.4676	-2.0445	6.1381	-0.1153	-0.2612	-0.1403	-0.1431	0.3774	0.4876	-0.4492	-0.5338	-0.2689	0.1028	0.0419	-0.0268	0.1384	-0.0135	0.1738	50.4521	-3.3959	35.2041
24	5.1813	3.7974	1.3987	4.7885	-1.0147	2.4522	0.1252	0.2328	-0.5153	-0.0735	-0.0438	-0.3878	0.9189	1.0382	-0.1088	0.2129	0.1066	-0.0005	0.3991	0.0229	0.1141	65.5131	-9.72	39.0919
25	2.0771	0.7974	-0.9014	4.2939	-0.2966	4.3941	-0.0849	-0.263	0.2563	0.073	0.0385	0.4278	-0.286	-0.5104	0.0534	0.104	0.0424	0.013	0.0992	-0.0058	0.1481	51.4553	-7.7223	34.6389
26	5.4632	2.0948	-4.2579	5.9638	0.7986	5.7925	0.271	-0.7851	0.8906	0.5354	-0.249	0.6256	-0.2039	-0.0164	-0.0412	0.1102	-0.0555	0.0211	0.1533	-0.0063	0.2598	40.6313	-10.8398	34.571
27	1.5771	2.0173	-0.0885	2.6518	0.223	1.5629	-0.0976	-0.3144	-0.133	0.0416	0.0334	-0.0199	0.015	-0.0705	0.0391	0.0433	-0.006	-0.0063	0.0737	0.0153	0.0852	55.7826	-11.4795	30.7474
28	8.6768	5.1256	0.5667	7.3926	0.589	8.1702	0.1631	-0.64	0.2036	0.4529	-0.2345	-0.2919	-0.2741	0.3757	0.0943	0.0767	0.0097	-0.0276	0.1191	-0.0151	0.1149	70.6554	-2.6625	34.2454
29	3.5812	1.4527	-0.696	3.4253	-0.4913	1.671	-0.0761	-0.3438	0.4862	0.2856	0.0665	-0.59	-0.3816	0.5159	-0.0597	0.1957	-0.0893	-0.0633	0.1916	-0.0591	0.2013	71.2928	5.3645	32.5032
30	6.3215	2.5699	1.3211	3.6716	0.8225	1.6936	-0.0922	-0.1301	0.0953	-0.004	-0.0141	0.1462	-0.0453	-0.0465	0.0671	0.0257	-0.0309	-0.0174	0.0672	0.0068	0.0484	58.0424	-6.3018	28.0664
31	5.6023	1.1673	-1.8144	5.2951	-0.1859	4.0238	-0.0545	-0.2484	-0.2621	0.2278	-0.0841	0.1966	0.2574	-0.1111	0.0213	0.0955	-0.0524	0.0102	0.0571	0.0265	0.1428	44.4661	-15.8914	28.0118
32	1.8928	1.5306	0.3276	1.4321	0.0867	0.4655	0.0001	-0.0578	-0.1044	0.052	-0.1196	0.2253	-0.0585	-0.0128	0.0359	0.1144	-0.1091	-0.0156	0.1201	0.005	0.1489	43.6071	-14.6427	21.6442
33	3.0637	1.8887	0.3889	2.5186	0.797	0.4404	-0.0163	0.0487	-0.1403	-0.0448	0.0638	-0.0578	0.0455	-0.0056	-0.0067	0.0826	-0.0637	-0.029	0.0364	-0.0096	0.0639	55.926	-4.9858	23.7199
34	2.6239	-0.3094	1.0688	5.0185	1.1054	0.7398	-0.0183	-0.4979	0.6078	0.4598	0.1655	0.0363	-0.871	-0.0849	-0.1917	0.2203	-0.0196	0.0235	0.1848	-0.095	0.1273	62.8155	6.2293	34.9582
35	0.5342	0.9651	1.1688	1.9937	2.6048	3.5296	0.0472	-0.1315	0.1713	0.1218	-0.0806	0.1155	-0.2011	-0.0875	0.0091	0.1974	0.0282	0.0112	0.1263	-0.0886	0.0991	58.552	7.7506	33.3383
36	4.2242	0.4632	3.6497	8.2095	6.2147	7.3228	-0.0687	0.0815	0.0944	-0.011	-0.0702	0.0677	-0.0478	-0.1834	0.1163	0.0767	-0.028	-0.0108	0.0822	0.0191	0.0379	54.0493	-1.7865	20.3782
37	5.1496	4.4851	4.4177	5.1979	3.4857	3.8908	-0.0046	0.3046	-0.2082	-0.3541	0.3231	-0.2684	0.2171	0.1377	-0.2282	0.1987	-0.1026	-0.0187	0.139	-0.025	0.1313	49.3897	-13.8686	10.1198
38	1.1475	0.2444	0.5892	3.6664	4.2426	4.9934	-0.0946	0.3127	-0.1491	-0.4814	-0.0374	0.4226	-0.0637	-0.286	0.2031	0.1788	-0.0842	-0.0759	0.1255	-0.0098	0.1173	49.4976	-7.1357	8.5736
39	0.7997	-0.7947	-1.2126	1.4463	1.7239	2.2487	0.0205	-0.0327	0.0635	0.1138	-0.0605	0.0936	-0.0743	-0.2089	0.0502	0.1412	0.0085	-0.0078	0.1557	-0.0329	0.0327	53.067	4.675	24.9209
40	5.4571	1.9326	-0.2817	6.979	3.6799	2.4994	0.0707	-0.4712	0.1259	0.4164	-0.2376	0.5884	0.0003	-0.5796	0.1524	0.129	0.0348	0.0089	0.1467	-0.0329	0.0875	51.4283	4.7695	36.6115
41	6.6184	2.6335	1.1596	7.3084	-0.8714	3.5151	-0.0421	-0.1453	0.0193	0.0243	0.1065	0.0243	0.0109	0.1227	-0.0488	0.064	-0.0287	0.0126	0.0862	-0.025	0.0269	61.5587	0.8761	-10.2127
42	1.6266	1.2035	-0.5741	3.2114	-2.1771	3.6194	0.0531	-0.6335	-0.9629	0.1877	-0.2367	-0.3469	1.2078	0.2877	0.1645	0.3593	-0.0568	0.0596	0.2083	0.1019	0.303	55.1641	-4.3459	-6.6588
43	8.2624	7.5991	2.483	9.4236	2.847	2.0102	-0.2261	0.1648	0.2511	-0.4663	0.1158	0.3668	-0.545	0.1309	0.1324	0.1605	-0.0326	0.0161	0.0833	-0.012	0.0762	62.0306	12.1796	-10.1611
44	7.6831	5.7305	3.6735	4.4288	3.1171	3.1105	-0.3081	0.0792	0.0648	-0.2546	0.0752	0.161	-0.1223	-0.0316	0.1631	0.0709	0.0042	-0.0007	0.0427	-0.0004	0.1039	56.0633	9.051	-7.7593
45	4.9132	2.2098	3.5673	2.952	1.4353	3.7698	0.0738	1.5139	-1.7556	-2.1074	0.1344	2.0686	1.6378	-2.0751	-0.2222	0.6598	-0.126	-0.1638	0.7005	-0.2165	0.7093	46.4724	-2.1679	-11.0244
46	7.1577	0.8599	1.0201	2.5428	0.9469	2.7229	-0.194	0.9028	-0.6235	-0.7957	0.1181	0.2077	0.4036	-0.2723	-0.0782	0.1822	-0.0622	-0.0456	0.2207	-0.0321	0.1408	45.2642	3.8819	-9.0576
47	9.362	8.0369	4.7136	8.3451	4.7948	5.2393	-0.0998	-0.0278	0.3501	-0.1658	-0.019	0.2174	-0.2004	-0.0268	0.1106	0.059	-0.0219	-0.0068	0.0639	0.0091	0.0955	57.3004	11.9614	-3.5977
48	2.21	0.2529	0.3674	0.0465	0.069	0.103	-0.0322	0.037	-0.0059	-0.0432	0.0002	-0.1353	-0.0492	0.112	0.0451	0.082	-0.0901	-0	0.122	0.0527	0.1338	71.3397	12.402	-2.9144
49	4.1794	-1.1071	-1.3259	3.2282	1.124	3.1797	-0.0672	0.316	0.0747	-0.2097	0.0343	-0.4566	-0.0269	0.3011	-0.0487	0.035	-0.0392	0.0377	0.1821	0.0212	0.1645	76.0996	5.9852	-0.3868
50	2.0679	0.6924	0.3434	0.6643	0.2	0.3382	0.0165	0.143	-0.1574	-0.0351	-0.0275	0.0559	0.0171	-0.0882	-0.0056	-0.0184	-0.0231	-0.0251	0.0819	0.0244	0.0745	54.6472	6.7239	-0.6499
51	1.6038	1.4029	1.7729	1.2343	1.4635	3.0114	0.085	0.2619	-0.0666	-0.5072	-0.1135	0.418	-0.034	-0.1211	-0.061	0.146	0.0101	-0.1158	0.3114	0.0503	0.1199	39.5988	6.5316	-7.0927
52	2.4147	-0.5919	0.5672	1.5417	0.0158	1.0607	-0.0357	0.0259	-0.0767	0.0142	-0.0032	0.0857	0.0429	-0.1741	0.0284	0.0269	0.0015	-0.0079	0.0827	0.0077	0.1042	43.3488	5.6397	3.0352
53	2.1078	-0.8008	-2.0654	3.1997	0.6778	3.073	-0.1484	-0.1578	0.0155	0.0268	0.057	-0.041	-0.0788	0.2	0.0931	0.0428	-0.0224	-0.0077	0.0628	-0.0065	0.0436	60.6175	3.9833	2.5602
54	5.4334	-1.6446	-1.3623	4.9435	-0.4181	4.835	-0.1433	0.5145	-0.6687	-0.5818	0.0538	-0.4743	0.8359	0.6592	0.1737	0.2036	0.0462	0.0775	0.3341	-0.1244	0.1874	71.5527	-1.5944	-7.0542
55	5.3786	0.0472	-3.3243	0.8592	-1.4935	6.4303	-0.2129	0.1236	-0.5182	-0.181	0.0243	-0.1091	0.4316	0.2813	0.2432	0.0827	-0.0163	0.052	0.0671	-0.0424	0.0771	62.6727	-1.5126	0.5859
56	7.2187	-2.1754	-2.8386	3.6728	1.5141	3.8121	-0.1254	0.0537	-0.2115	0.2367	0.0179	0.3375	-0.0074	-0.3676	0.13	0.0525	0.0091	0.0048	0.1343	0.0117	0.1167	45.4542	4.8854	10.4861
57	4.3923	-4.4421	4.4677	4.837	-4.7188	6.7986	-0.4801	-0.7856	-0.3037	0.9814	0.322	0.5896	0.0521	-0.6084	0.1699	0.2049	0.072	0.067	0.3201	0.0873	0.2417	41.7986	3.9878	19.4951
58	5.0775	-2.8885	0.9864	2.8658	0.9381	3.6056	-0.0985	-0.0476	0.0177	0.2223	0.0839	0.3455	0.2072	-0.4631	0.0346	0.0605	-0.036	0.0367	0.0807	0.0036	0.1044	49.2905	-0.065	12.1416
59	3.8397	-0.2807	-3.2739	1.2482	0.9419	3.9165	-0.0368	-0.1478	-0.1058	0.0263	-0.0981	0.0476	0.273	0.1234	0.0896	0.0985	-0.0164	0.0531	0.1278	-0.0235	0.0363	59.7044	-4.4231	0.8698
60	3.3857	-0.7226	3.2245	5.9264	3.802	6.5636	-0.26	0.2682	-0.6345	-0.2322	0.021	0.1517	1.3593	-0.9976	0.235	0.344	-0.1108	0.0824	0.2008	-0.048	0.1049	62.0605	-6.8872	-10.9833
61	2.1497	1.5877	2.3778	5.5378	2.1319	9.5957	-0.0616	-0.1002	0.4425	-0.0188	-0.0839	0.191	-0.4778	-0.3936	0.1218	0.1686	0.0473	-0.0041	0.1048	-0.0151	0.1626	48.3994	23.535	9.7117
62	9.7475	-1.2367	2.922	9.3406	-3.7036	2.1041	-0.1393	-0.4128	-0.2634	0.4962	0.1289	-0.4308	0.1127	0.6534	0.0074	0.3072	0.1072	-0.0368	0.2505	-0.0418	0.1571	57.4565	20.7578	18.6748
63	6.7886	-0.2983	6.8997	2.8916	-0.6842	9.5848	0.1281	-0.0328	-0.0873	0.1488	0.1075	0.168	-0.1789	0.1201	-0.1954	0.1916	0.0458	-0.0171	0.1198	-0.0357	0.1178	53.2916	22.9718	7.3205
64	3.3527	0.5607	5.3784	1.9224	1.0481	9.732	0.0391	-0.2086	0.1611	-0.1305	-0.0569	0.2815	-0.1049	-0.4608	-0.0221	0.1556	0.0062	-0.0479	0.0691	0.0253	0.165	50.6774	19.7535	0.2259
65	0.4281	-1.2791	-0.8174	4.6095	3.795	3.8836	0.6172	-2.603	0.7678	2.0935	-0.318	-0.1971	-0.7535	0.4997	-0.3267	0.7423	-0.1493	-0.0003	0.82	-0.0326	0.3972	66.2097	27.4837	11.8082
66	4.3768	-1.2971	-1.0035	3.2536	-2.1252	2.2756	-0.0431	-0.47	0.6225	0.1089	-0.0869	-0.1602	-0.5021	-0.0212	0.074	0.1855	-0.0468	-0.0122	0.0723	-0.0296	0.104	62.0176	21.4548	4.2146
67	5.7392	1.0825	-0.5738	3.0467	-0.7551	1.4842	0.1271	-0.0547	0.2635	-0.0378	0.0129	0.2697	-0.0236	-0.2427	-0.0927	0.0494	0.0155	-0.0275	0.1076	0.0236	0.097	42.9493	13.479	1.8638
68	4.0224	-2.4057	-0.2302	4.1194	2.3423	1.8264	-0.2533	-0.4643	-0.0834	0.2062	0.2098	0.5543	0.2057	-0.6858	0.0705	0.0951	0.0355	0.0165	0.2666	0.0604	0.19	37.1467	10.6635	9.9702
69	8.759	4.9562	0.5679	3.7784	-1.1255	2.1865	0.0787	-0.1971	0.2928	0.0552	0.0579	0.1683	-0.0377	-0.0982	-0.1224	0.0468	-0.0187	0.0007	0.0443	-0.0204	0.0936	54.178	13.6245	5.8547
70	3.8648	1.0428	-0.8729	5.7223	-0.4189	2.8309	0.0112	0.1813	0.4171	-0.2375	0.0357	-0.3058	-0.2728	0.1882	-0.1159	0.1519	-0.1066	0.0048	0.1115	0.0411	0.1719	68.6779	19.3227	3.207
71	0.4321	-0.9653	0.0235	2.1702	0.0672	1.0715	0.0936	-0.1312	0.5837	0.0919	-0.0635	-0.1813	-0.3902	0.2493	-0.1602	0.1538	-0.1256	-0.0087	0.1203	0.0347	0.1949	71.9464	17.0882	5.1226
72	5.9398	-0.8587	-1.4063	1.0926	0.5729	3.1577	-0.0911	-0.121	0.058	0.0308	0.0275	0.1956	-0.163	-0.1184	0.0693	0.0424	0.0154	0.004	0.0429	0.0106	0.0999	52.2426	12.0402	9.8682
73	2.5176	0.2697	0.0376	6.2528	1.0457	2.5705	-0.0153	-0.5144	0.7481	0.4818	-0.0009	0.581	-0.4453	-0.4086	-0.0203	0.3643	0.1842	0.1121	0.3328	-0.1108	0.3642	42.7103	18.9505	17.5321
74	6.1658	-2.436	-0.218	4.1026	0.0941	2.9919	-0.1042	-0.2762	-0.0824	0.2775	0.0426	0.0387	-0.2013	-0.1054	0.0435	0.062	-0.0088	0.0007	0.0414	-0.0072	0.0535	54.5853	9.6316	13.8783
75	9.2005	-5.3855	-3.2949	6.506	1.0151	5.6889	0.0578	-0.1054	0.0796	0.098	0.0196	-0.3736	0.3016	0.5317	-0.0646	0.0443	-0.0052	-0.0103	0.144	-0.007	0.1032	71.8502	3.0676	6.2759
76	7.0358	-5.059	-4.1657	5.5319	2.0562	3.2523	-0.1393	-0.2859	-0.387	0.3002	-0.0824	-0.4433	0.2541	0.5992	0.1336	0.0752	0.0236	-0.0095	0.1457	0.0318	0.1538	71.5754	-0.7029	10.4277
77	5.9201	-4.8748	-3.4695	5.934	2.8574	6.2563	-0.1213	-0.2152	0.3542	0.2319	0.0699	-0.0118	-0.3533	-0.035	0.0512	0.0769	0.0107	0.0016	0.0509	-0.0158	0.1002	59.1529	9.0658	16.4932
78	3.9369	0.2998	-1.4965	6.9386	-0.6522	7.1308	-0.0422	-0.5767	0.7171	0.6694	0.0519	-0.0752	-0.6243	0.1917	-0.0112	0.2234	0.0461	-0.0084	0.14	-0.0866	0.1708	51.9268	22.073	18.4238

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	(chain A and resid 16:22)	A	16 - 22
2	X-RAY DIFFRACTION	2	(chain A and resid 23:28)	A	23 - 28
3	X-RAY DIFFRACTION	3	(chain A and resid 29:36)	A	29 - 36
4	X-RAY DIFFRACTION	4	(chain A and resid 37:43)	A	37 - 43
5	X-RAY DIFFRACTION	5	(chain A and resid 44:50)	A	44 - 50
6	X-RAY DIFFRACTION	6	(chain A and resid 51:54)	A	51 - 54
7	X-RAY DIFFRACTION	7	(chain A and resid 55:59)	A	55 - 59
8	X-RAY DIFFRACTION	8	(chain A and resid 60:65)	A	60 - 65
9	X-RAY DIFFRACTION	9	(chain A and resid 66:72)	A	66 - 72
10	X-RAY DIFFRACTION	10	(chain A and resid 73:77)	A	73 - 77
11	X-RAY DIFFRACTION	11	(chain A and resid 78:82)	A	78 - 82
12	X-RAY DIFFRACTION	12	(chain A and resid 83:87)	A	83 - 87
13	X-RAY DIFFRACTION	13	(chain A and resid 88:93)	A	88 - 93
14	X-RAY DIFFRACTION	14	(chain A and resid 94:100)	A	94 - 100
15	X-RAY DIFFRACTION	15	(chain A and resid 101:106)	A	101 - 106
16	X-RAY DIFFRACTION	16	(chain A and resid 107:113)	A	107 - 113
17	X-RAY DIFFRACTION	17	(chain A and resid 114:119)	A	114 - 119
18	X-RAY DIFFRACTION	18	(chain A and resid 120:125)	A	120 - 125
19	X-RAY DIFFRACTION	19	(chain A and resid 126:130)	A	126 - 130
20	X-RAY DIFFRACTION	20	(chain A and resid 131:136)	A	131 - 136
21	X-RAY DIFFRACTION	21	(chain B and resid 14:20)	B	14 - 20
22	X-RAY DIFFRACTION	22	(chain B and resid 21:25)	B	21 - 25
23	X-RAY DIFFRACTION	23	(chain B and resid 26:31)	B	26 - 31
24	X-RAY DIFFRACTION	24	(chain B and resid 32:36)	B	32 - 36
25	X-RAY DIFFRACTION	25	(chain B and resid 37:47)	B	37 - 47
26	X-RAY DIFFRACTION	26	(chain B and resid 48:53)	B	48 - 53
27	X-RAY DIFFRACTION	27	(chain B and resid 54:59)	B	54 - 59
28	X-RAY DIFFRACTION	28	(chain B and resid 60:65)	B	60 - 65
29	X-RAY DIFFRACTION	29	(chain B and resid 66:72)	B	66 - 72
30	X-RAY DIFFRACTION	30	(chain B and resid 73:77)	B	73 - 77
31	X-RAY DIFFRACTION	31	(chain B and resid 78:83)	B	78 - 83
32	X-RAY DIFFRACTION	32	(chain B and resid 84:88)	B	84 - 88
33	X-RAY DIFFRACTION	33	(chain B and resid 89:94)	B	89 - 94
34	X-RAY DIFFRACTION	34	(chain B and resid 95:100)	B	95 - 100
35	X-RAY DIFFRACTION	35	(chain B and resid 101:105)	B	101 - 105
36	X-RAY DIFFRACTION	36	(chain B and resid 106:110)	B	106 - 110
37	X-RAY DIFFRACTION	37	(chain B and resid 111:116)	B	111 - 116
38	X-RAY DIFFRACTION	38	(chain B and resid 117:125)	B	117 - 125
39	X-RAY DIFFRACTION	39	(chain B and resid 126:129)	B	126 - 129
40	X-RAY DIFFRACTION	40	(chain B and resid 130:134)	B	130 - 134
41	X-RAY DIFFRACTION	41	(chain C and resid 16:23)	C	16 - 23
42	X-RAY DIFFRACTION	42	(chain C and resid 24:29)	C	24 - 29
43	X-RAY DIFFRACTION	43	(chain C and resid 30:36)	C	30 - 36
44	X-RAY DIFFRACTION	44	(chain C and resid 37:43)	C	37 - 43
45	X-RAY DIFFRACTION	45	(chain C and resid 44:50)	C	44 - 50
46	X-RAY DIFFRACTION	46	(chain C and resid 51:55)	C	51 - 55
47	X-RAY DIFFRACTION	47	(chain C and resid 56:59)	C	56 - 59
48	X-RAY DIFFRACTION	48	(chain C and resid 60:65)	C	60 - 65
49	X-RAY DIFFRACTION	49	(chain C and resid 66:72)	C	66 - 72
50	X-RAY DIFFRACTION	50	(chain C and resid 73:79)	C	73 - 79
51	X-RAY DIFFRACTION	51	(chain C and resid 80:84)	C	80 - 84
52	X-RAY DIFFRACTION	52	(chain C and resid 85:90)	C	85 - 90
53	X-RAY DIFFRACTION	53	(chain C and resid 91:95)	C	91 - 95
54	X-RAY DIFFRACTION	54	(chain C and resid 96:101)	C	96 - 101
55	X-RAY DIFFRACTION	55	(chain C and resid 102:108)	C	102 - 108
56	X-RAY DIFFRACTION	56	(chain C and resid 109:115)	C	109 - 115
57	X-RAY DIFFRACTION	57	(chain C and resid 116:120)	C	116 - 120
58	X-RAY DIFFRACTION	58	(chain C and resid 121:126)	C	121 - 126
59	X-RAY DIFFRACTION	59	(chain C and resid 127:130)	C	127 - 130
60	X-RAY DIFFRACTION	60	(chain C and resid 131:135)	C	131 - 135
61	X-RAY DIFFRACTION	61	(chain D and resid 16:21)	D	16 - 21
62	X-RAY DIFFRACTION	62	(chain D and resid 22:26)	D	22 - 26
63	X-RAY DIFFRACTION	63	(chain D and resid 27:34)	D	27 - 34
64	X-RAY DIFFRACTION	64	(chain D and resid 35:43)	D	35 - 43
65	X-RAY DIFFRACTION	65	(chain D and resid 44:51)	D	44 - 51
66	X-RAY DIFFRACTION	66	(chain D and resid 52:57)	D	52 - 57
67	X-RAY DIFFRACTION	67	(chain D and resid 58:65)	D	58 - 65
68	X-RAY DIFFRACTION	68	(chain D and resid 66:72)	D	66 - 72
69	X-RAY DIFFRACTION	69	(chain D and resid 73:77)	D	73 - 77
70	X-RAY DIFFRACTION	70	(chain D and resid 78:82)	D	78 - 82
71	X-RAY DIFFRACTION	71	(chain D and resid 83:89)	D	83 - 89
72	X-RAY DIFFRACTION	72	(chain D and resid 90:96)	D	90 - 96
73	X-RAY DIFFRACTION	73	(chain D and resid 97:103)	D	97 - 103
74	X-RAY DIFFRACTION	74	(chain D and resid 104:109)	D	104 - 109
75	X-RAY DIFFRACTION	75	(chain D and resid 110:117)	D	110 - 117
76	X-RAY DIFFRACTION	76	(chain D and resid 118:123)	D	118 - 123
77	X-RAY DIFFRACTION	77	(chain D and resid 124:128)	D	124 - 128
78	X-RAY DIFFRACTION	78	(chain D and resid 129:135)	D	129 - 135

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