PDB-7sal: Crystal Structure of LaM6 Nanobody bound to mCherry

ID or keywords:

Entry

Database: PDB / ID: 7sal

Title

Crystal Structure of LaM6 Nanobody bound to mCherry

Components

LaM6
mCherry

Keywords

IMMUNE SYSTEM / Antibody / nanobody / affinity tag / fluorescent protein

Biological species

Discosoma sp. (sea anemone)

Lama glama (llama)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.93 Å

Authors

Cong, A.T.Q. / Schellenberg, M.J.

Funding support

1items

Citation

Journal: Protein Sci. / Year: 2022
Title: High-efficiency recombinant protein purification using mCherry and YFP nanobody affinity matrices.
Authors: Cong, A.T.Q. / Witter, T.L. / Schellenberg, M.J.

History

Deposition	Sep 22, 2021	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Sep 14, 2022	Provider: repository / Type: Initial release
Revision 1.1	Oct 18, 2023	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.2	Nov 15, 2023	Group: Data collection / Category: chem_comp_atom / chem_comp_bond / Item: _chem_comp_atom.atom_id / _chem_comp_bond.atom_id_2

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	7sal.cif.gz	415.4 KB	Display	PDBx/mmCIF format
PDB format	pdb7sal.ent.gz	345.8 KB	Display	PDB format
PDBx/mmJSON format	7sal.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/sa/7sal ftp://data.pdbj.org/pub/pdb/validation_reports/sa/7sal	HTTPS FTP

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Related structure data

Related structure data	7sahC 7saiC 7sajC 7sakC 2h5qS S: Starting model for refinement C: citing same article (ref.)

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#21 - Sep 2001 Antibodies similarity (1) #256 - Apr 2021 SARS-CoV-2 Spike and Antibodies similarity (1) #136 - Apr 2011 Nanobodies similarity (1)

Deposited unit

A: mCherry

B: mCherry

C: LaM6

D: LaM6

hetero molecules

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

1

A: mCherry

D: LaM6

hetero molecules

defined by author
Evidence: gel filtration
42.2 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: mCherry

C: LaM6

hetero molecules

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

Unit cell

Length a, b, c (Å)	74.083, 87.948, 74.634
Angle α, β, γ (deg.)	90.000, 109.490, 90.000
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	mCherry Mass: 26996.393 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Discosoma sp. (sea anemone) / Production host: Escherichia coli (E. coli)
#2: Antibody	LaM6 Mass: 15157.757 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Lama glama (llama) / Production host: Escherichia coli (E. coli)
#3: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₃H₈O₃
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 507 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	N

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.72 Å³/Da / Density % sol: 54.75 %
Crystal grow	Temperature: 295 K / Method: vapor diffusion, sitting drop / pH: 6 / Details: 100mM MIB buffer with 25% (w/v) PEG1500

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Data collection

Diffraction

Mean temperature: 100 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 24-ID-C / Wavelength: 0.97911 Å

Detector

Type: DECTRIS EIGER2 X 16M / Detector: PIXEL / Date: Oct 2, 2020

Radiation

Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 0.97911 Å / Relative weight: 1

Reflection

Resolution: 1.92→50 Å / Num. obs: 66672 / % possible obs: 98.8 % / Redundancy: 7.4 % / R_merge(I) obs: 0.09 / R_pim(I) all: 0.034 / R_rim(I) all: 0.097 / Χ²: 1.057 / Net I/σ(I): 10.1 / Num. measured all: 492694

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Num. unique obs	CC_1/2	R_pim(I) all	R_rim(I) all	Χ²	% possible all
1.92-1.99	5.7	0.949	6712	0.528	0.425	1.046	0.975	99.1
1.99-2.07	7.4	0.71	6675	0.784	0.276	0.764	1.013	99.9
2.07-2.16	7.6	0.501	6724	0.881	0.192	0.539	1.09	99.9
2.16-2.28	7.7	0.374	6682	0.938	0.142	0.402	1.102	99.9
2.28-2.42	7.4	0.264	6658	0.965	0.101	0.283	1.094	99.5
2.42-2.61	7.3	0.189	6666	0.98	0.073	0.203	1.066	98.6
2.61-2.87	8.1	0.133	6724	0.991	0.048	0.142	1.056	99.5
2.87-3.28	7.8	0.089	6647	0.995	0.033	0.095	1.024	98.7
3.28-4.14	7.3	0.061	6588	0.997	0.023	0.065	1.061	97.4
4.14-50	7.6	0.055	6596	0.997	0.02	0.059	1.062	95.8

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Processing

Software

Name	Version	Classification
PHENIX	1.17.1_3660	refinement
DENZO		data reduction
SCALEPACK		data scaling
PDB_EXTRACT	3.27	data extraction
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 2h5q

2h5q

Resolution: 1.93→49.97 Å / SU ML: 0.18 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 18.87 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.191	1975	2.96 %
R_work	0.1613	64684	-
obs	0.1621	66659	98.42 %

Solvent computation

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

Displacement parameters

B_iso max: 330.85 Å² / B_iso mean: 47.3459 Å² / B_iso min: 20.76 Å²

Refinement step

Cycle: final / Resolution: 1.93→49.97 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	5324	0	28	507	5859
B_iso mean	-	-	266.14	47.3	-
Num. residues	-	-	-	-	678

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / R_factor R_free error: 0 / 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 (%)
1.93-1.98	0.2499	131	0.2592	4327	4458	93
1.98-2.03	0.2722	139	0.2275	4692	4831	100
2.03-2.09	0.2808	148	0.2176	4694	4842	100
2.09-2.16	0.2214	139	0.1979	4633	4772	100
2.16-2.24	0.2212	139	0.1875	4671	4810	100
2.24-2.33	0.2047	149	0.172	4689	4838	100
2.33-2.43	0.1822	141	0.1673	4630	4771	99
2.43-2.56	0.2224	144	0.1701	4608	4752	98
2.56-2.72	0.1882	143	0.1685	4655	4798	100
2.72-2.93	0.2093	140	0.1702	4675	4815	99
2.93-3.23	0.2048	143	0.1679	4664	4807	99
3.23-3.69	0.1799	132	0.149	4574	4706	97
3.69-4.65	0.156	142	0.1283	4618	4760	98
4.66-49.97	0.1754	145	0.1536	4554	4699	95

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	8.9984	3.9966	-8.0017	5.3725	-3.609	7.1135	0.7458	1.2955	1.9539	-0.8239	0.2808	1.9902	-0.8016	-1.3705	-0.8679	0.5301	0.1303	0.0393	0.4891	0.2065	0.8237	-13.585	-4.995	-7.235
2	8.1009	-6.0358	4.0517	5.0798	-5.1636	7.3429	-0.213	-0.002	0.2568	0.718	-0.0649	0.4339	-0.5646	-0.1782	0.1409	0.241	-0.0363	0.0106	0.2457	-0.0669	0.2703	-4.485	-19.884	7.441
3	6.2825	-5.3892	5.3682	7.9829	-5.3954	7.868	-0.1131	-0.1599	0.4197	0.4566	0.0479	0.2464	-0.4439	-0.1135	0.018	0.2797	-0.0258	0.0486	0.2822	-0.0655	0.3766	-1.922	-17.282	7.8
4	2.9398	-2.6086	3.8514	7.4408	-6.2092	9.0892	-0.0298	0.092	0.5392	0.0299	-0.0647	-0.1436	-0.46	-0.1607	0.1159	0.234	0.0231	0.0513	0.2798	-0.0122	0.4403	-1.177	-13.013	2.143
5	4.1153	1.3253	3.4117	1.7157	1.8666	3.2663	-0.0658	-0.0349	0.2785	-0.1079	0.0657	-0.027	-0.4131	-0.148	-0.0269	0.3033	0.0039	0.0322	0.2641	0.0061	0.3016	4.193	-24.68	6.14
6	2.3254	1.4693	-1.6704	4.3408	-0.7812	7.3722	0.2044	0.7246	0.4273	-0.4866	-0.2182	0.3828	-0.2292	-0.396	-0.0226	0.4054	0.1361	-0.0897	0.4516	0.0296	0.48	-13.404	-15.761	-10.503
7	8.9725	-6.0039	-1.3337	4.7169	0.5619	1.499	0.1278	0.1922	-0.0449	-0.0943	-0.1216	0.3502	-0.0482	-0.1993	-0.0135	0.237	-0.0185	-0.017	0.2623	-0.0239	0.3101	-6.928	-28.049	0.272
8	8.6756	-6.9393	1.0334	7.5273	-1.1819	2.2702	-0.3493	-0.3754	0.3294	0.7484	0.2218	0.2241	-0.2116	-0.2494	0.0528	0.2178	0.0088	-0.0002	0.2709	-0.0827	0.2632	-9.032	-20.496	5.607
9	7.3375	-2.6309	1.6483	8.9643	-5.0838	3.4606	0.1537	0.0579	0.1022	-0.1458	-0.3188	-0.4415	0.2501	0.4771	0.18	0.2516	0.0048	0.0356	0.2125	-0.0599	0.2184	10.635	-31.478	1.896
10	4.7384	4.3415	1.6455	3.9163	1.5245	7.7359	0.0476	0.4606	-0.7657	-0.8074	-0.3393	0.1819	0.6927	-0.1505	0.2189	0.4331	0.0694	-0.0683	0.4198	-0.0329	0.474	-9.813	-29.152	-13.352
11	4.0167	-0.7427	4.8825	3.1452	0.0809	6.3825	0.3361	0.5077	-0.0184	-0.0652	-0.2006	-0.1246	0.2365	0.3874	-0.2234	0.3369	0.0327	0.0303	0.2472	-0.0076	0.2774	4.349	-29.977	-7.586
12	3.3089	-3.762	-1.3185	5.3726	0.8787	0.7545	0.0387	0.9166	-0.8748	-0.1817	-0.2499	0.4782	0.2082	-0.1521	0.2355	0.3121	0.0123	-0.0071	0.3726	-0.0293	0.2473	-1.982	-31.215	-6.546
13	4.8963	0.517	1.0041	2.7827	0.6396	3.8735	0.1645	0.5366	0.3309	-0.3365	-0.1659	0.1086	0.039	0.0846	0.0445	0.315	0.0583	0.0123	0.1311	0.0346	0.2931	-1.838	-19.587	-4.404
14	3.0272	1.9822	2.0515	3.6361	2.2253	2.2875	-0.2916	1.107	0.0632	-0.8202	0.2464	-0.1741	-1.1485	0.8705	-0.2042	0.4855	0.0854	0.0825	0.5423	0.0335	0.4698	-0.339	-17.278	-11.581
15	8.8355	1.0059	-0.9575	6.5118	3.0112	8.9665	-0.0046	-1.3303	-1.6641	1.1644	-0.5529	-0.1122	1.2322	0.0543	0.4613	0.8899	-0.0165	0.0921	0.6794	0.255	0.7467	-22.629	-24.501	32.718
16	6.6459	-2.5175	1.598	1.1333	-0.2835	6.8233	-0.0544	-0.5348	-0.7028	0.7434	0.2958	0.9334	0.1211	-0.4328	-0.4328	0.2296	-0.0369	0.0558	0.3298	0.0208	0.271	-33.203	-7.746	19.507
17	2.3285	-5.2432	4.5533	4.1084	-3.178	6.2597	0.1813	0.3009	-0.2796	0.0396	-0.3508	-0.1075	0.2285	-0.0658	-0.1103	0.2363	-0.0288	0.0184	0.4146	0.0457	0.5993	-33.132	-9.312	16.647
18	8.5657	-4.5429	6.4985	7.2414	-3.7647	6.0066	-0.0078	-0.4676	-1.3223	0.0919	0.3647	0.2762	0.3766	-0.2426	-0.4273	0.3152	0.0066	0.089	0.328	0.079	0.3336	-26.029	-14.239	18.415
19	7.1577	2.252	5.4484	5.1668	2.389	5.8721	0.0653	-0.0028	-0.1032	0.0665	-0.0231	0.1212	0.1308	0.0768	-0.0788	0.237	0.0178	0.0257	0.2891	0.0174	0.2868	-29.289	-2.37	11.819
20	6.5391	-2.4513	2.678	4.5044	0.4857	3.907	-0.1894	-0.5721	-0.1762	0.697	0.0422	-0.2426	0.5075	0.3119	0.2002	0.612	0.0637	-0.0323	0.5831	0.1687	0.3424	-19.066	-11.587	33.724
21	3.0957	2.3591	-3.3134	9.8871	-7.0633	9.0206	0.0883	-0.364	-0.1612	0.5747	0.0828	0.3813	-0.0764	0.0035	-0.1525	0.3043	0.0008	-0.0003	0.358	-0.0019	0.248	-27.563	0.658	24.37
22	3.8543	-0.6488	-0.2481	9.1189	-4.7213	5.7684	0.0199	-0.1344	-0.4693	0.0421	0.1982	0.9929	0.48	-0.4854	-0.295	0.3227	-0.0312	0.0596	0.4102	0.024	0.326	-32.914	-7.249	24.308
23	9.8837	-5.8067	-7.089	4.3489	6.1385	9.5692	0.1672	0.3956	0.6406	-0.1642	0.038	0.067	-0.5642	-0.1966	-0.1612	0.3691	0.0113	-0.0159	0.3043	0.0385	0.3384	-27.968	9.684	6.878
24	5.204	-6.4582	5.119	8.1027	-6.517	5.338	0.2704	0.5899	-0.0087	-0.4957	-0.3568	-0.3349	0.457	0.5552	0.2498	0.2847	0.0093	0.0459	0.35	0.0125	0.3012	-19.166	0.392	7.625
25	7.0431	-5.4437	-5.8421	6.6452	5.6441	5.3389	0.1434	-0.5227	0.4441	0.1499	0.0984	-0.3824	-0.2223	0.3442	-0.1843	0.3931	0.0052	-0.0718	0.6415	-0.0116	0.3933	-15.736	2.135	32.094
26	5.5565	1.1764	-4.4056	3.4416	-2.5162	4.1922	0.032	-0.2132	0.0636	0.1603	0.2006	-0.0738	-0.2984	0.6796	-0.2433	0.2192	0.0215	-0.0295	0.2426	-0.0067	0.3181	-16.169	3.184	16.233
27	7.3045	5.3673	-6.2539	6.0121	-5.222	5.3696	0.3111	-0.7339	0.1007	0.616	-0.3537	-0.0801	-0.9034	1.1006	-0.0028	0.2609	0.0138	-0.0116	0.4195	0.0006	0.2657	-19.555	4.197	21.947
28	4.9321	0.4951	1.4789	2.2433	1.2738	7.0578	-0.2459	0.0432	-0.2266	0.3168	0.0483	-0.0968	0.1463	0.8449	0.1661	0.3281	0.0605	-0.0244	0.1736	0.074	0.3123	-20.604	-7.375	20.674
29	2.9216	4.1734	2.1831	6.8817	4.449	3.2806	0.6225	-0.2726	-1.5163	0.5599	0.3845	-0.9784	0.5632	0.6924	-0.8573	0.3283	0.0647	-0.007	0.6382	-0.0055	0.4139	-13.786	-9.652	21.757
30	6.0011	-5.7643	6.0502	5.5514	-5.8161	6.0887	0.3144	1.2727	-0.0332	-0.2311	-0.2674	-0.1613	-0.4627	1.1659	0.0779	0.424	0.0648	0.0235	0.5955	0.0124	0.4213	-46.394	1.818	-11.984
31	6.043	6.0322	-5.5485	7.5973	-6.5715	8.4613	1.0424	0.2577	-1.7697	-1.1667	-0.9415	0.4516	1.9546	2.1744	0.0145	0.4464	0.1995	-0.0366	0.5099	-0.0269	0.7751	-38.972	-15.224	2.047
32	6.3151	-5.9077	6.4194	5.3973	-6.0322	6.4536	0.3657	-0.0033	-0.0756	-0.7484	-0.0438	-0.1485	0.9832	0.5113	-0.1804	0.3105	0.0223	-0.0057	0.3325	-0.0415	0.3695	-42.201	-5.64	1.447
33	6.6187	-6.7261	5.3454	6.9071	-5.3962	4.3669	0.9854	1.499	1.9031	-1.266	-1.3391	-1.7573	-0.6243	1.5171	0.5591	0.6176	-0.0459	0.2498	0.6388	0.0623	0.5723	-46.562	8.795	-12.965
34	5.0462	-5.1564	1.3062	7.6739	-1.2267	3.3385	0.3264	0.7549	0.0275	-0.8515	-0.3423	-0.2191	0.3194	0.077	0.0365	0.2706	-0.0089	-0.0125	0.4035	-0.0215	0.3732	-54.297	2.778	-5.98
35	5.7533	-2.6339	-0.4143	8.4529	5.4444	6.9763	-0.0644	0.8179	-1.8511	-0.9585	-0.3764	0.1573	-0.1361	-0.7855	0.5191	0.6702	-0.1323	-0.1346	0.7575	-0.1669	0.977	-57.444	-14.091	-6.679
36	2.1838	-1.5931	-2.492	3.9673	-0.6779	5.0845	-0.1185	1.2431	-1.1201	0.0498	1.1772	-0.1447	0.3148	-0.8307	-0.9744	0.2051	-0.0693	-0.0667	0.3899	-0.0027	0.4875	-56.217	-3.999	-0.316
37	8.8628	-8.5241	6.988	8.9505	-5.6748	7.2142	-0.1467	-0.2068	-0.2454	0.3722	0.1626	-0.0086	0.0321	-0.3501	-0.0594	0.2268	0.0164	0.0184	0.3584	0.0036	0.3832	-56.137	5.722	2.903
38	6.7086	3.9038	4.3887	4.6787	0.2115	5.1414	0.5377	-1.302	0.2848	0.2248	0.1989	1.7558	0.7275	-1.6562	-0.8225	0.3821	-0.085	0.0023	0.5256	0.1758	0.5655	-56.966	-7.233	7.336
39	8.5149	-6.8295	-4.8348	7.084	6.4704	8.8528	-0.0831	-0.3512	-0.2843	0.2154	-0.7037	0.4666	0.3192	-0.7143	0.7952	0.3183	-0.0281	-0.0773	0.4174	0.017	0.4303	-49.759	-5.344	7.516
40	9.3738	7.591	-7.4719	9.8495	-6.7212	8.9735	0.502	-0.1775	0.8988	0.0755	-0.3117	0.0032	-1.0311	0.6907	-0.2216	0.4323	-0.0641	0.0211	0.4222	-0.0061	0.5132	-44.961	8.113	-2.231
41	0.6981	-1.8431	1.4061	7.3382	-2.1009	7.9516	0.1865	-0.1533	-0.1396	-0.3212	-0.2189	-0.1315	-0.0232	0.4405	0.0861	0.2305	-0.0003	-0.0074	0.3386	-0.0247	0.416	-44.947	-1.925	2.165
42	7.5851	-1.7344	5.3842	0.4583	-1.3274	3.9135	0.5519	-0.0459	-0.9778	-0.2201	0.0627	0.011	1.2176	-0.2325	-0.5629	0.4633	-0.0712	-0.0371	0.2913	-0.0256	0.5466	-48.111	-12.689	3.006
43	8.7181	0.0125	1.8309	9.2352	5.7888	4.0111	0.3295	0.5168	-0.3351	0.0568	1.6315	-0.8126	0.8802	0.3532	-1.7919	0.573	-0.0126	-0.0619	0.4563	-0.0461	0.391	-51.153	-4.427	-8.858
44	9.673	-8.8487	-1.2294	8.796	1.368	0.2294	0.2882	0.6955	-0.2865	-0.5079	-0.1286	0.4871	-0.2401	-0.3366	-0.131	0.2759	0.0296	0.021	0.3313	0.0531	0.382	-60.51	6.681	-5.56
45	9.4425	-6.0236	-7.3966	7.4437	7.5717	8.0925	0.1676	0.5017	-1.03	0.0922	-0.0322	-0.1029	-0.132	0.5146	-0.1342	0.3189	-0.0165	-0.043	0.3625	-0.0133	0.4153	-62.529	2.26	-8.501
46	5.9423	-5.965	3.2597	6.0644	-3.9084	9.3717	0.0751	1.0144	0.5603	-0.6499	0.215	-1.1845	0.3925	-0.2677	-0.2887	0.3876	0.0094	0.0273	0.5591	-0.0916	0.4573	-51.781	-1.194	-12.942
47	8.3218	-1.0224	1.7165	8.4303	-1.4409	1.95	0.1954	0.0588	-0.8955	-0.2975	-0.2102	-0.6834	1.8373	1.3096	-0.0653	0.585	0.142	-0.0332	0.4352	-0.1226	0.6394	-43.999	-14.469	-2.954
48	8.0942	-0.1171	1.4876	4.76	-4.5778	4.7919	0.5515	-0.212	-0.1418	0.1035	-1.0068	-0.6467	0.2098	2.6834	0.5655	0.4015	0.0024	0.0427	0.8973	0.0132	0.4039	-52.368	-30.269	31.515
49	9.7562	-5.3352	2.8268	8.997	-0.9717	4.917	0.1454	0.8431	1.4613	-0.3708	-0.627	-0.4324	-0.9532	0.4909	0.4968	0.62	-0.0679	-0.0052	0.3887	0.0325	0.4098	-65.056	-14.451	19.54
50	8.5157	-6.1095	6.1533	4.7748	-4.899	5.0609	-0.1353	-0.0246	0.2406	-0.096	-0.256	-0.7338	-0.1687	0.8381	0.5703	0.3572	-0.0138	0.0255	0.4965	0.0325	0.3826	-58.712	-28.638	25.441
51	1.3155	0.5001	-0.98	9.0686	-6.1659	5.6735	-0.0574	-0.2646	-0.0288	0.1163	-0.295	-0.6387	-0.0899	0.6408	0.2906	0.3968	-0.0502	0.0125	0.5619	-0.0275	0.3061	-61.151	-31.077	35.73
52	1.7775	-1.6161	-0.3772	5.3591	-4.4729	6.1142	0.1103	-0.3226	0.2983	0.9921	-0.2125	-0.8371	-1.0489	0.1747	0.1186	0.5192	-0.0543	0.0048	0.615	-0.0442	0.2807	-65.754	-23.803	36.858
53	5.6424	-3.2841	4.5358	2.0259	-3.01	7.6813	0.1321	-1.0907	-0.1314	1.0866	0.3648	0.8331	-0.6218	-1.3065	-0.4662	0.4872	0.0275	0.1215	0.5686	-0.0317	0.4035	-74.352	-23.161	32.745
54	7.0131	-4.9675	-4.2801	4.4238	4.0962	3.9822	0.1894	0.411	-0.274	-0.6322	-0.3712	-0.6393	0.7854	0.1732	0.0205	0.5044	0.0417	0.0632	0.4214	-0.0301	0.3793	-65.089	-33.112	25.665
55	8.9768	-2.9375	1.9439	3.732	-4.5058	5.8449	0.0169	-0.043	0.3292	0.2531	-0.1033	0.256	-0.4231	-0.1291	0.0046	0.364	-0.0455	0.0387	0.3087	-0.0512	0.2362	-67.372	-20.94	25.41
56	2.8591	-0.9633	1.9521	0.5332	-1.639	5.3461	-0.2333	-0.1609	0.1373	0.3563	-0.2226	-0.4143	-0.6983	0.7734	0.4024	0.4275	-0.0901	-0.0291	0.4783	-0.0162	0.2958	-61.38	-28.306	37.507
57	3.2829	3.2722	-2.9933	6.1368	-4.2934	7.5124	0.0746	-0.1519	0.0275	0.1507	-0.196	-0.2432	-0.4711	0.8502	0.1262	0.3802	-0.0754	0.0003	0.4941	-0.0009	0.2583	-59.711	-28.249	39.339
58	2.9551	-3.1138	-0.0121	4.796	3.6082	8.5314	-0.1565	0.626	0.8417	0.2219	-0.8636	0.4333	-1.6649	0.6881	1.1403	0.6987	-0.2203	-0.1091	0.4818	0.0664	0.5889	-61.994	-11.739	24.741

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 4:11 )	A	4 - 11
2	X-RAY DIFFRACTION	2	( CHAIN A AND RESID 12:24 )	A	12 - 24
3	X-RAY DIFFRACTION	3	( CHAIN A AND RESID 25:36 )	A	25 - 36
4	X-RAY DIFFRACTION	4	( CHAIN A AND RESID 37:50 )	A	37 - 50
5	X-RAY DIFFRACTION	5	( CHAIN A AND RESID 51:65 )	A	51 - 65
6	X-RAY DIFFRACTION	6	( CHAIN A AND RESID 69:90 )	A	69 - 90
7	X-RAY DIFFRACTION	7	( CHAIN A AND RESID 91:114 )	A	91 - 114
8	X-RAY DIFFRACTION	8	( CHAIN A AND RESID 115:127 )	A	115 - 127
9	X-RAY DIFFRACTION	9	( CHAIN A AND RESID 128:145 )	A	128 - 145
10	X-RAY DIFFRACTION	10	( CHAIN A AND RESID 146:155 )	A	146 - 155
11	X-RAY DIFFRACTION	11	( CHAIN A AND RESID 156:171 )	A	156 - 171
12	X-RAY DIFFRACTION	12	( CHAIN A AND RESID 172:183 )	A	172 - 183
13	X-RAY DIFFRACTION	13	( CHAIN A AND RESID 184:210 )	A	184 - 210
14	X-RAY DIFFRACTION	14	( CHAIN A AND RESID 211:223 )	A	211 - 223
15	X-RAY DIFFRACTION	15	( CHAIN B AND RESID 4:11 )	B	4 - 11
16	X-RAY DIFFRACTION	16	( CHAIN B AND RESID 12:24 )	B	12 - 24
17	X-RAY DIFFRACTION	17	( CHAIN B AND RESID 25:36 )	B	25 - 36
18	X-RAY DIFFRACTION	18	( CHAIN B AND RESID 37:50 )	B	37 - 50
19	X-RAY DIFFRACTION	19	( CHAIN B AND RESID 51:65 )	B	51 - 65
20	X-RAY DIFFRACTION	20	( CHAIN B AND RESID 69:90 )	B	69 - 90
21	X-RAY DIFFRACTION	21	( CHAIN B AND RESID 91:114 )	B	91 - 114
22	X-RAY DIFFRACTION	22	( CHAIN B AND RESID 115:127 )	B	115 - 127
23	X-RAY DIFFRACTION	23	( CHAIN B AND RESID 128:137 )	B	128 - 137
24	X-RAY DIFFRACTION	24	( CHAIN B AND RESID 138:145 )	B	138 - 145
25	X-RAY DIFFRACTION	25	( CHAIN B AND RESID 146:155 )	B	146 - 155
26	X-RAY DIFFRACTION	26	( CHAIN B AND RESID 156:171 )	B	156 - 171
27	X-RAY DIFFRACTION	27	( CHAIN B AND RESID 172:183 )	B	172 - 183
28	X-RAY DIFFRACTION	28	( CHAIN B AND RESID 184:210 )	B	184 - 210
29	X-RAY DIFFRACTION	29	( CHAIN B AND RESID 211:223 )	B	211 - 223
30	X-RAY DIFFRACTION	30	( CHAIN C AND RESID 1:9 )	C	1 - 9
31	X-RAY DIFFRACTION	31	( CHAIN C AND RESID 10:13 )	C	10 - 13
32	X-RAY DIFFRACTION	32	( CHAIN C AND RESID 14:22 )	C	14 - 22
33	X-RAY DIFFRACTION	33	( CHAIN C AND RESID 23:27 )	C	23 - 27
34	X-RAY DIFFRACTION	34	( CHAIN C AND RESID 28:39 )	C	28 - 39
35	X-RAY DIFFRACTION	35	( CHAIN C AND RESID 40:46 )	C	40 - 46
36	X-RAY DIFFRACTION	36	( CHAIN C AND RESID 47:49 )	C	47 - 49
37	X-RAY DIFFRACTION	37	( CHAIN C AND RESID 50:59 )	C	50 - 59
38	X-RAY DIFFRACTION	38	( CHAIN C AND RESID 60:64 )	C	60 - 64
39	X-RAY DIFFRACTION	39	( CHAIN C AND RESID 65:68 )	C	65 - 68
40	X-RAY DIFFRACTION	40	( CHAIN C AND RESID 69:78 )	C	69 - 78
41	X-RAY DIFFRACTION	41	( CHAIN C AND RESID 79:82 )	C	79 - 82
42	X-RAY DIFFRACTION	42	( CHAIN C AND RESID 83:93 )	C	83 - 93
43	X-RAY DIFFRACTION	43	( CHAIN C AND RESID 94:95 )	C	94 - 95
44	X-RAY DIFFRACTION	44	( CHAIN C AND RESID 96:105 )	C	96 - 105
45	X-RAY DIFFRACTION	45	( CHAIN C AND RESID 106:110 )	C	106 - 110
46	X-RAY DIFFRACTION	46	( CHAIN C AND RESID 111:115 )	C	111 - 115
47	X-RAY DIFFRACTION	47	( CHAIN C AND RESID 116:121 )	C	116 - 121
48	X-RAY DIFFRACTION	48	( CHAIN D AND RESID 1:7 )	D	1 - 7
49	X-RAY DIFFRACTION	49	( CHAIN D AND RESID 8:17 )	D	8 - 17
50	X-RAY DIFFRACTION	50	( CHAIN D AND RESID 18:26 )	D	18 - 26
51	X-RAY DIFFRACTION	51	( CHAIN D AND RESID 27:39 )	D	27 - 39
52	X-RAY DIFFRACTION	52	( CHAIN D AND RESID 40:56 )	D	40 - 56
53	X-RAY DIFFRACTION	53	( CHAIN D AND RESID 57:66 )	D	57 - 66
54	X-RAY DIFFRACTION	54	( CHAIN D AND RESID 67:75 )	D	67 - 75
55	X-RAY DIFFRACTION	55	( CHAIN D AND RESID 76:90 )	D	76 - 90
56	X-RAY DIFFRACTION	56	( CHAIN D AND RESID 91:103 )	D	91 - 103
57	X-RAY DIFFRACTION	57	( CHAIN D AND RESID 104:116 )	D	104 - 116
58	X-RAY DIFFRACTION	58	( CHAIN D AND RESID 117:121 )	D	117 - 121

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