PDB-7qt0: Antibody FenAb136 - fentanyl complex

ID or keywords:

Entry

Database: PDB / ID: 7qt0

Title

Antibody FenAb136 - fentanyl complex

Components

Antibody heavy chain
Antibody light chain

Keywords

IMMUNE SYSTEM / antibody

Function / homology

Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta / Chem-FD0

Function and homology information

Biological species

Mus musculus (house mouse)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 2.07 Å

Authors

Zeelen, J.P. / Straaten van, M. / Stebbins, C.E.

Funding support

1items

Citation

Journal: Cell Rep / Year: 2023
Title: A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Authors: Triller, G. / Vlachou, E.P. / Hashemi, H. / van Straaten, M. / Zeelen, J.P. / Kelemen, Y. / Baehr, C. / Marker, C.L. / Ruf, S. / Svirina, A. / Chandra, M. / Urban, K. / Gkeka, A. / Kruse, S. ...

History

Deposition	Jan 14, 2022	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	May 24, 2023	Provider: repository / Type: Initial release
Revision 1.1	Feb 7, 2024	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.2	Oct 9, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	7qt0.cif.gz	1012.4 KB	Display	PDBx/mmCIF format
PDB format	pdb7qt0.ent.gz	843.4 KB	Display	PDB format
PDBx/mmJSON format	7qt0.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/qt/7qt0 ftp://data.pdbj.org/pub/pdb/validation_reports/qt/7qt0	HTTPS FTP

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Related structure data

Related structure data	7qt2C 7qt3C 7qt4C 5h2bS S: Starting model for refinement C: citing same article (ref.)
Similar structure data	Similarity search - Function & homologyF&H Search Similarity search - HomologyF&H Search

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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)

Deposited unit

A: Antibody heavy chain

B: Antibody light chain

C: Antibody heavy chain

D: Antibody light chain

E: Antibody heavy chain

F: Antibody light chain

G: Antibody heavy chain

H: Antibody light chain

I: Antibody heavy chain

J: Antibody light chain

K: Antibody heavy chain

L: Antibody light chain

hetero molecules

292 kDa, 12 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author
Evidence: gel filtration

Unit cell

Length a, b, c (Å)	182.982, 105.843, 172.775
Angle α, β, γ (deg.)	90.000, 112.240, 90.000
Int Tables number	5
Space group name H-M	C121

#1: Antibody	Antibody heavy chain Mass: 24308.229 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Cell line (production host): Freestyle 293 / Production host: Homo sapiens (human)
#2: Antibody	Antibody light chain Mass: 23696.059 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Cell line (production host): Freestyle 293 / Production host: Homo sapiens (human)
#3: Chemical	ChemComp-FD0 / 2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid Mass: 617.694 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₂₉H₄₃N₇O₈ / Feature type: SUBJECT OF INVESTIGATION
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1328 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	Y
Has protein modification	Y

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.69 Å³/Da / Density % sol: 54.25 %
Crystal grow	Temperature: 281 K / Method: vapor diffusion, hanging drop / pH: 6.5 / Details: 2.0m M (NH4)2SO4, 0.1 M ADA/NaOH, 10 % Ethanol

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: SLS / Beamline: X06DA / Wavelength: 1 Å
Detector	Type: DECTRIS PILATUS 2M-F / Detector: PIXEL / Date: Feb 19, 2021
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.07→54.52 Å / Num. obs: 181970 / % possible obs: 97.51 % / Redundancy: 2 % / B_iso Wilson estimate: 35.64 Å² / CC_1/2: 0.987 / R_merge(I) obs: 0.0637 / Net I/σ(I): 7.29
Reflection shell	Resolution: 2.07→2.14 Å / Redundancy: 2 % / R_merge(I) obs: 0.5982 / Mean I/σ(I) obs: 1.2 / Num. unique obs: 17881 / CC_1/2: 0.584 / % possible all: 96.49

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Phasing

Phasing	Method: molecular replacement

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Processing

Software

Name	Version	Classification
XDS		data reduction
XSCALE		data scaling
PHASER		phasing
PHENIX	1.19.2_4158	refinement
PDB_EXTRACT	3.27	data extraction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 5H2B

5h2b

Resolution: 2.07→54.52 Å / SU ML: 0.37 / Cross valid method: THROUGHOUT / σ(F): 1.33 / Phase error: 34.32 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2819	3884	1.1 %
R_work	0.2417	350507	-
obs	0.2422	181970	96.91 %

Solvent computation

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

Displacement parameters

B_iso max: 114.71 Å² / B_iso mean: 45.8176 Å² / B_iso min: 24.74 Å²

Refinement step

Cycle: final / Resolution: 2.07→54.52 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	19532	0	172	1328	21032
B_iso mean	-	-	46.12	45.4	-
Num. residues	-	-	-	-	2558

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / R_factor R_free error: 0

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	% reflection obs (%)
2.07-2.1	0.4217	134	0.3574	12071	95
2.1-2.12	0.3688	121	0.3488	12382	95
2.12-2.15	0.4166	131	0.336	12353	95
2.15-2.18	0.4007	147	0.3293	12289	95
2.18-2.21	0.3227	126	0.3206	12349	96
2.21-2.24	0.3762	148	0.3156	12474	96
2.24-2.28	0.3345	151	0.3211	12336	96
2.28-2.32	0.3474	123	0.305	12549	96
2.32-2.36	0.3108	139	0.3093	12462	97
2.36-2.4	0.3734	143	0.31	12576	97
2.4-2.44	0.3565	144	0.3005	12424	97
2.44-2.49	0.3051	138	0.2982	12503	97
2.49-2.55	0.295	124	0.295	12529	97
2.55-2.61	0.3128	152	0.2839	12494	97
2.61-2.67	0.3232	143	0.2817	12540	97
2.67-2.75	0.3513	147	0.2729	12635	97
2.75-2.83	0.3197	134	0.2806	12573	98
2.83-2.92	0.3702	139	0.2715	12636	98
2.92-3.02	0.3525	145	0.272	12685	98
3.02-3.14	0.3114	146	0.2516	12545	98
3.14-3.29	0.3078	131	0.2453	12656	98
3.29-3.46	0.2967	131	0.2253	12627	98
3.46-3.68	0.2179	148	0.2141	12649	98
3.68-3.96	0.2575	141	0.2014	12571	98
3.96-4.36	0.2077	139	0.1843	12648	98
4.36-4.99	0.185	138	0.1706	12579	97
4.99-6.28	0.2509	135	0.2021	12707	98
6.28-54.52	0.2285	146	0.2195	12665	98

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	6.9321	2.9686	-5.8748	3.3304	-3.0018	4.971	-0.1288	-0.7308	-0.3136	-0.3475	-0.0785	-0.2378	0.3935	0.6949	0.3839	0.5076	-0.0241	-0.0325	0.355	0.0494	0.4288	-40.509	-4.662	56.237
2	2.2135	-0.1989	-0.6786	1.4889	0.1257	-0.0249	0.0334	0.3136	0.2821	-0.3886	0.0899	0.1439	0.0564	-0.0308	-0.1346	0.6124	-0.0288	-0.0381	0.4012	0.0921	0.3824	-47.015	0.747	51.82
3	1.4161	0.2649	0.8813	1.1804	1.2375	4.1139	-0.0542	0.0225	0.0583	0.2388	0.0101	-0.1058	0.2035	-0.0397	0.0391	0.5803	0.0115	0.1097	0.197	0.0365	0.408	-18.582	1.377	65.003
4	2.3868	1.2698	1.5204	2.7735	-0.8206	2.1246	-0.0846	0.0644	0.5894	-0.098	-0.0554	0.5574	-0.234	-0.0352	0.1698	0.5064	0.0276	0.0229	0.2473	0.0434	0.5422	-48.255	18.44	64.879
5	1.7185	0.845	-0.4262	0.8514	-0.0745	0.2566	0.0517	0.0543	0.341	-0.0433	0.0094	0.1091	-0.0752	0.0008	-0.0472	0.6414	0.0402	0.0988	0.2553	0.0485	0.4675	-27.784	17.029	63.711
6	6.5848	-0.3701	-2.6154	2.4389	-0.329	4.058	0.0121	-0.1642	-0.0823	-0.1803	-0.0023	-0.382	-0.0703	0.4328	-0.0083	0.495	-0.0089	0.0196	0.258	0.0558	0.3642	-5.229	15.678	61.621
7	2.2863	1.8068	1.5069	7.92	5.3539	6.3146	0.3355	0.0702	0.035	0.5928	-0.0997	0.2412	0.2198	-0.6816	-0.2255	0.5825	-0.0296	0.1131	0.3013	0.0378	0.395	-23.261	-25.846	48.169
8	1.7186	-0.5235	0.5044	1.8762	-0.6409	1.2178	-0.0108	0.2054	0.0563	-0.4606	0.0143	-0.2562	0.1299	-0.0379	-0.0139	0.6287	-0.0022	0.1922	0.284	0.0347	0.3773	-14.144	-20.679	43.247
9	2.3904	2.5534	0.8899	7.2239	3.4623	3.9365	0.0758	0.2675	-0.2034	-0.2593	0.0546	-0.7812	0.1541	-0.2136	-0.1549	0.5855	0.0096	0.1782	0.2326	0.0199	0.4003	-14.317	-27.555	45.123
10	1.915	0.755	0.0023	0.4568	-0.4858	0.7763	-0.2352	0.095	0.0984	-0.1118	0.1016	0.0941	0.0522	0.01	0.1642	0.6765	0.0241	0.1754	0.2537	0.0068	0.43	-17.032	-27.847	52.794
11	6.4862	1.5602	5.1709	0.9218	1.7734	4.7367	0.3547	-0.813	-0.8221	-0.213	0.4251	-0.3519	0.1384	-0.67	-0.5086	0.5096	0.0719	0.1004	0.3	0.0011	0.4137	-24.939	-51.846	68.292
12	2.7674	-0.0518	2.3653	1.1924	-1.5928	5.5627	-0.3182	-0.0648	-0.0496	-0.1247	0.0754	-0.1853	0.0875	-0.047	0.2459	0.4933	0.0061	0.0921	0.1969	-0.0156	0.3903	-24.498	-44.141	65.208
13	1.6311	-2.8186	2.8494	7.2856	-6.6862	9.2463	0.6142	0.1973	-0.3176	-0.8489	-0.3355	0.4704	1.4311	0.9628	-0.0858	0.6493	0.0613	0.2084	0.4354	-0.0089	0.5184	5.979	-36.873	53.112
14	3.1655	0.1762	-0.3344	2.2844	-0.9753	2.119	-0.0958	-0.0669	-0.171	-0.09	-0.0509	-0.2676	0.1702	0.1695	0.1659	0.5538	0.0386	0.1382	0.2917	0.0358	0.4352	3.112	-27.968	55.831
15	0.5725	0.5467	-0.2313	0.4194	-0.5711	0.7264	0.0825	0.0126	-0.1609	-0.0359	-0.1129	-0.1986	-0.0024	0.1411	0.0165	0.5413	0.0488	0.1839	0.3094	-0.0171	0.3823	-10.403	-44.384	58.33
16	4.3523	0.9175	1.1767	0.2019	-0.023	1.4517	0.0099	0.1847	-0.6592	-0.2285	0.0596	-0.2768	0.2978	0.11	-0.0764	0.721	0.09	0.1986	0.2673	0.0253	0.5907	-16.256	-60.735	62.639
17	1.8258	-1.9636	0.6559	7.6192	-0.8867	0.3444	0.085	0.2597	-0.0484	-0.161	-0.0653	0.0471	-0.0521	-0.4092	-0.0563	0.4526	0.0137	0.0697	0.3922	0.0211	0.3363	-14.603	-73.522	29.357
18	0.7761	-0.1462	0.471	1.9899	-0.8276	0.6765	0.0794	-0.0957	0.0829	0.2422	0.0901	0.2073	-0.0987	-0.2072	-0.1657	0.584	0.027	0.1555	0.3218	0.0245	0.3925	-10.672	-75.743	36.927
19	3.6263	-1.7402	0.8683	3.3778	0.7302	0.8728	-0.4827	0.6734	0.4164	0.2363	0.3824	0.1209	-0.085	0.0178	0.046	0.5312	-0.0219	0.0131	0.3029	0.0071	0.3177	-1.582	-47.128	13.526
20	5.3802	1.5453	-1.3564	1.4099	-1.3676	2.48	-0.1616	-0.1198	-0.264	0.2312	0.2176	-0.0761	-0.0796	0.0727	-0.0421	0.4204	0.0484	0.0507	0.2098	0.001	0.2976	-4.009	-55.043	16.501
21	9.1686	3.0527	-6.5247	3.8501	-2.0015	4.8024	0.0857	-0.2543	0.8332	0.2219	0.108	0.2563	-0.2039	0.1001	-0.2351	0.7628	-0.0213	-0.1134	0.3731	-0.0033	0.4881	10.209	-62.459	45.718
22	7.4196	3.2081	-4.2314	8.2311	-1.4313	4.1986	-0.0314	-0.7741	0.3258	0.9518	0.0955	0.6776	0.3312	0.2221	-0.0631	0.5559	-0.0161	0.0016	0.4012	0.0251	0.2846	7.958	-71.849	52.553
23	4.8332	-1.6452	1.6908	2.2881	-2.1287	4.1307	0.0087	0.2758	0.2227	0.8338	-0.2785	0.1534	-0.6259	0.1244	0.2267	0.5336	0.0021	0.1054	0.2147	0.0528	0.3457	4.421	-70.191	36.661
24	3.8634	1.7911	-0.2413	5.9524	-1.0696	4.189	-0.3983	-0.2515	-0.2467	0.5672	0.0703	-0.448	0.5395	0.5314	0.2866	0.5142	0.0597	0.078	0.2521	0.0254	0.3477	13.167	-75.18	42.898
25	2.3572	2.6459	-2.3295	2.8976	-1.5879	3.0801	-0.0126	-0.0159	-0.0806	0.3828	0.0348	-0.0785	-0.2121	0.1014	-0.0751	0.5128	0.0161	0.0285	0.3193	0.0129	0.3385	7.777	-64.518	40.045
26	3.3346	-0.2591	0.1376	2.3637	0.036	0.248	-0.3015	-0.1682	0.6018	0.7705	0.2088	0.0697	-0.6678	-0.0055	0.0315	0.78	0.0286	0.0437	0.2513	-0.0168	0.3998	-1.02	-39.5	21.894
27	7.043	-4.9588	1.6483	5.1926	-2.1014	1.3998	0.0528	-0.3483	-0.0396	0.4682	0.0723	0.0892	-0.3786	-0.3635	-0.0734	0.7229	-0.0129	0.1343	0.3411	-0.0221	0.3147	3.687	-48.559	29.089
28	4.4854	0.1398	1.963	3.2942	-0.8598	3.7882	-0.0761	-0.0392	0.5035	0.5356	0.059	0.5495	-0.6297	-0.3447	0.0983	0.7904	0.122	0.1352	0.3134	0.0462	0.5888	-10.439	-35.937	19.157
29	1.8211	-2.5025	1.0881	4.5507	-3.006	2.6413	-0.4336	0.0795	0.705	0.1728	0.0977	-0.0627	-0.7724	0.2737	0.3565	0.9923	-0.1338	-0.0118	0.3117	0.0195	0.6412	4.221	-33.108	21.293
30	3.7046	-0.918	2.007	3.5225	1.968	2.8614	-0.1037	0.0942	0.03	0.4254	0.192	0.3516	-0.611	-0.083	-0.1968	0.403	-0.0631	0.0894	0.3792	0.0329	0.3577	-23.909	10.438	15.833
31	0.7723	0.007	1.3562	1.4801	-0.5357	1.6842	0.0473	-0.2868	-0.147	0.0539	0.2011	0.3427	0.4835	-0.3664	-0.2255	0.4451	-0.0997	0.0602	0.4902	0.1071	0.3974	-29.73	5.737	10.105
32	2.8992	-0.1972	-1.5877	3.7382	0.147	6.1249	0.3977	-0.5169	0.2805	0.1252	0.7355	-0.6389	0.5486	0.6804	-0.2645	0.6529	0.0298	-0.1199	0.2332	-0.223	0.5079	9.518	2.676	23.209
33	5.7357	-1.2531	-2.1256	0.6861	1.0029	2.4932	0.0961	-0.0073	0.0746	-0.0712	0.0355	-0.0869	0.1722	-0.0806	-0.11	0.5578	-0.0575	0.0176	0.2038	0.034	0.3184	-0.946	5.512	20.045
34	2.8574	-0.7167	0.2594	1.9784	-1.0976	1.4523	0.3025	-0.2868	-0.6406	-0.441	0.0753	0.4914	0.6109	-0.1417	-0.3064	0.857	-0.1301	-0.1221	0.3637	0.0718	0.4991	-22.265	-12.095	0.491
35	1.3391	-0.2339	0.8955	2.104	1.2956	4.304	0.026	-0.1013	-0.1332	-0.0121	0.1224	-0.1205	0.1802	0.1453	-0.1379	0.6824	-0.0079	0.0786	0.2578	0.0307	0.3579	3.23	-9.135	26.61
36	3.2967	1.4588	0.2405	2.532	1.2475	0.9056	-0.2272	-0.103	-0.1495	0.4544	0.0758	-0.3506	0.058	0.1678	0.1648	0.5817	0.0058	-0.0713	0.339	0.0789	0.3335	-13.331	-38.991	109.003
37	2.4534	2.3246	-0.0551	7.2213	1.3076	2.1563	0.1041	-0.1683	-0.4927	0.1	0.0039	-0.5849	0.1828	-0.0401	-0.1046	0.3484	0.0159	-0.0326	0.2568	0.0382	0.2352	-12.315	-37.065	100.303
38	0.9977	-0.7703	-0.4408	3.0038	0.511	1.1293	0.2292	-0.017	0.1843	-0.1254	-0.0882	-0.2164	-0.1952	-0.1562	-0.1474	0.398	0.0071	0.0649	0.2693	0.0187	0.3635	-4.434	-19.275	87.307
39	2.3749	-1.0501	-1.1272	2.0531	-0.3148	8.9075	-0.1477	-0.4333	-0.1065	-0.1635	0.1715	-0.5124	0.5695	1.5582	-0.0679	0.5906	0.1198	0.1315	0.503	0.081	0.7995	5.806	-50.122	90.913
40	3.5031	-0.7415	-0.0987	2.5223	0.9017	4.821	-0.2569	-0.1093	-0.2731	-0.1348	0.0382	-0.3362	0.4291	0.3681	0.1391	0.4699	0.0481	0.0843	0.3127	0.0736	0.5097	-3.997	-51.667	91.028
41	0.2572	0.0062	0.0575	4.6668	-0.296	0.3475	0.1191	-0.1507	0.1721	0.0913	-0.0108	-0.6418	-0.1318	0.2381	-0.111	0.5239	-0.0296	0.0923	0.4466	0.0276	0.6788	8.612	-25.689	88.005
42	1.2324	0.1636	-0.7494	5.0803	2.9514	2.8641	0.2269	-0.0618	0.0787	-0.6841	-0.0148	-0.8499	-0.5663	0.2709	-0.2386	0.508	-0.0379	0.0949	0.4332	0.0868	0.7998	12.831	-16.578	83.148
43	2.3413	-2.856	1.85	5.4154	-1.0304	2.1007	-0.1691	0.2059	-0.4573	0.033	0.0495	-0.1968	0.3458	0.4899	0.1264	0.4134	0.0765	0.1904	0.543	-0.0314	0.4532	-60.296	-14.916	-7.024
44	0.2225	-0.4395	0.6634	2.2258	-0.089	2.0096	-0.0671	0.0805	0.0371	-0.0844	0.0455	-0.3704	-0.0557	0.5938	0.0256	0.2891	-0.003	0.1289	0.5238	-0.0067	0.393	-58.794	-6.109	-5.91
45	2.4111	0.5851	-1.6796	4.1101	0.7518	5.475	0.1801	0.0399	-0.0174	0.4414	-0.0816	-0.1994	0.4246	-0.0784	-0.0566	0.3622	0.0226	-0.091	0.268	-0.0221	0.279	-65.561	-28.952	14.928
46	7.7297	4.5608	-7.1395	3.6471	-4.8989	8.1744	-0.1976	-0.0427	0.6565	-0.4026	0.4198	0.1683	0.5158	0.9751	-0.2753	0.4888	-0.129	0.0386	0.7621	-0.0905	0.4341	-56.15	3.713	18.36
47	3.9799	0.6986	-0.469	1.9134	-0.6007	2.7862	0.1999	0.0572	0.1376	0.1699	0.0806	-0.1167	-0.4484	0.7704	-0.2371	0.3461	-0.1338	-0.009	0.4408	-0.0466	0.3284	-63.021	6.521	10.366
48	0.6104	1.3757	-1.0501	2.4969	-2.9497	7.0381	0.0763	-0.0168	0.1543	0.247	0.0521	0.0287	-0.1667	0.7629	-0.1553	0.3559	-0.0649	0.0114	0.4455	-0.0271	0.4348	-59.745	-0.599	15.262
49	3.6863	-2.2581	-0.2792	6.2383	0.8774	2.7681	0.086	-0.0235	0.0596	0.2368	-0.0446	-0.6149	0.5623	0.5436	-0.0388	0.5461	0.0564	-0.0932	0.4485	-0.0087	0.3603	-55.312	-30.82	26.344
50	1.7879	-1.1638	-0.2979	4.9478	1.9056	3.3477	0.0398	0.0465	-0.1211	0.3909	-0.047	-0.3507	0.5885	0.3192	-0.0104	0.5039	0.0368	-0.1384	0.48	-0.0345	0.3769	-54.423	-29.18	27.574

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 1:12 )	A	1 - 12
2	X-RAY DIFFRACTION	2	( CHAIN A AND RESID 13:126 )	A	13 - 126
3	X-RAY DIFFRACTION	3	( CHAIN A AND RESID 127:220 )	A	127 - 220
4	X-RAY DIFFRACTION	4	( CHAIN B AND RESID 1:61 )	B	1 - 61
5	X-RAY DIFFRACTION	5	( CHAIN B AND RESID 62:174 )	B	62 - 174
6	X-RAY DIFFRACTION	6	( CHAIN B AND RESID 175:211 )	B	175 - 211
7	X-RAY DIFFRACTION	7	( CHAIN C AND RESID 1:25 )	C	1 - 25
8	X-RAY DIFFRACTION	8	( CHAIN C AND RESID 26:83 )	C	26 - 83
9	X-RAY DIFFRACTION	9	( CHAIN C AND RESID 84:101 )	C	84 - 101
10	X-RAY DIFFRACTION	10	( CHAIN C AND RESID 102:126 )	C	102 - 126
11	X-RAY DIFFRACTION	11	( CHAIN C AND RESID 127:152 )	C	127 - 152
12	X-RAY DIFFRACTION	12	( CHAIN C AND RESID 153:219 )	C	153 - 219
13	X-RAY DIFFRACTION	13	( CHAIN D AND RESID 1:18 )	D	1 - 18
14	X-RAY DIFFRACTION	14	( CHAIN D AND RESID 19:90 )	D	19 - 90
15	X-RAY DIFFRACTION	15	( CHAIN D AND RESID 91:128 )	D	91 - 128
16	X-RAY DIFFRACTION	16	( CHAIN D AND RESID 129:212 )	D	129 - 212
17	X-RAY DIFFRACTION	17	( CHAIN E AND RESID 1:25 )	E	1 - 25
18	X-RAY DIFFRACTION	18	( CHAIN E AND RESID 26:126 )	E	26 - 126
19	X-RAY DIFFRACTION	19	( CHAIN E AND RESID 127:152 )	E	127 - 152
20	X-RAY DIFFRACTION	20	( CHAIN E AND RESID 153:219 )	E	153 - 219
21	X-RAY DIFFRACTION	21	( CHAIN F AND RESID 1:18 )	F	1 - 18
22	X-RAY DIFFRACTION	22	( CHAIN F AND RESID 19:32 )	F	19 - 32
23	X-RAY DIFFRACTION	23	( CHAIN F AND RESID 33:48 )	F	33 - 48
24	X-RAY DIFFRACTION	24	( CHAIN F AND RESID 49:75 )	F	49 - 75
25	X-RAY DIFFRACTION	25	( CHAIN F AND RESID 76:113 )	F	76 - 113
26	X-RAY DIFFRACTION	26	( CHAIN F AND RESID 114:155 )	F	114 - 155
27	X-RAY DIFFRACTION	27	( CHAIN F AND RESID 156:174 )	F	156 - 174
28	X-RAY DIFFRACTION	28	( CHAIN F AND RESID 175:188 )	F	175 - 188
29	X-RAY DIFFRACTION	29	( CHAIN F AND RESID 189:211 )	F	189 - 211
30	X-RAY DIFFRACTION	30	( CHAIN G AND RESID 1:16 )	G	1 - 16
31	X-RAY DIFFRACTION	31	( CHAIN G AND RESID 17:126 )	G	17 - 126
32	X-RAY DIFFRACTION	32	( CHAIN G AND RESID 127:141 )	G	127 - 141
33	X-RAY DIFFRACTION	33	( CHAIN G AND RESID 142:220 )	G	142 - 220
34	X-RAY DIFFRACTION	34	( CHAIN H AND RESID 1:102 )	H	1 - 102
35	X-RAY DIFFRACTION	35	( CHAIN H AND RESID 103:212 )	H	103 - 212
36	X-RAY DIFFRACTION	36	( CHAIN I AND RESID 1:91 )	I	1 - 91
37	X-RAY DIFFRACTION	37	( CHAIN I AND RESID 92:126 )	I	92 - 126
38	X-RAY DIFFRACTION	38	( CHAIN I AND RESID 127:219 )	I	127 - 219
39	X-RAY DIFFRACTION	39	( CHAIN J AND RESID 1:18 )	J	1 - 18
40	X-RAY DIFFRACTION	40	( CHAIN J AND RESID 19:90 )	J	19 - 90
41	X-RAY DIFFRACTION	41	( CHAIN J AND RESID 91:163 )	J	91 - 163
42	X-RAY DIFFRACTION	42	( CHAIN J AND RESID 164:212 )	J	164 - 212
43	X-RAY DIFFRACTION	43	( CHAIN K AND RESID 1:25 )	K	1 - 25
44	X-RAY DIFFRACTION	44	( CHAIN K AND RESID 26:126 )	K	26 - 126
45	X-RAY DIFFRACTION	45	( CHAIN K AND RESID 127:219 )	K	127 - 219
46	X-RAY DIFFRACTION	46	( CHAIN L AND RESID 1:18 )	L	1 - 18
47	X-RAY DIFFRACTION	47	( CHAIN L AND RESID 19:75 )	L	19 - 75
48	X-RAY DIFFRACTION	48	( CHAIN L AND RESID 76:113 )	L	76 - 113
49	X-RAY DIFFRACTION	49	( CHAIN L AND RESID 114:155 )	L	114 - 155
50	X-RAY DIFFRACTION	50	( CHAIN L AND RESID 156:211 )	L	156 - 211

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