PDB-7qyq: Crystal structure of a DyP-type peroxidase from Pseudomonas putida

ID or keywords:

Entry

Database: PDB / ID: 7qyq

Title

Crystal structure of a DyP-type peroxidase from Pseudomonas putida

Components

Dyp-type peroxidase family protein

Keywords

OXIDOREDUCTASE / DyP /

heme /

Pseudomonas putida /

lignin /

ABTS

Function / homology

Function and homology information

peroxidase activity /

heme binding /

metal ion binding
Similarity search - Function

Biological species

Pseudomonas putida (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.599 Å

Authors

Borges, P.T. / Silva, D. / Frazao, C. / Martins, L.O.

Funding support

European Union,

United Kingdom, 2items

Organization	Grant number	Country
H2020 Marie Curie Actions of the European Commission	B-LigZymes H2020-MSCA-RISE 2018	European Union
Foundation for Science and Technology (FCT)	PTDC/BII-BBF/29564/2017	United Kingdom

Citation

Journal: Comput Struct Biotechnol J / Year: 2022
Title: Unveiling molecular details behind improved activity at neutral to alkaline pH of an engineered DyP-type peroxidase.
Authors: Borges, P.T. / Silva, D. / Silva, T.F.D. / Brissos, V. / Canellas, M. / Lucas, M.F. / Masgrau, L. / Melo, E.P. / Machuqueiro, M. / Frazao, C. / Martins, L.O.

History

Deposition	Jan 28, 2022	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Aug 3, 2022	Provider: repository / Type: Initial release
Revision 1.1	Aug 24, 2022	Group: Database references / Category: citation / citation_author Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.name
Revision 1.2	Jan 31, 2024	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	7qyq.cif.gz	452.9 KB	Display	PDBx/mmCIF format
PDB format	pdb7qyq.ent.gz	377.2 KB	Display	PDB format
PDBx/mmJSON format	7qyq.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/qy/7qyq ftp://data.pdbj.org/pub/pdb/validation_reports/qy/7qyq	HTTPS FTP

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Related structure data

Related structure data	7qyzC 7qzaC 2iizS S: Starting model for refinement C: citing same article (ref.)
Similar structure data	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: Dyp-type peroxidase family protein

B: Dyp-type peroxidase family protein

C: Dyp-type peroxidase family protein

D: Dyp-type peroxidase family protein

hetero molecules

128 kDa, 4 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)	141.951, 141.951, 177.440
Angle α, β, γ (deg.)	90.000, 90.000, 120.000
Int Tables number	154
Space group name H-M	P3₂21

Components on special symmetry positions

ID	Model	Components
1	1	C-409- HOH

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	(chain A and (resid 3 through 97 or resid 99 through 258 or resid 260 through 285 or resid 288))
2	1	(chain B and (resid 3 through 97 or resid 99 through 258 or resid 260 through 285 or resid 288))
3	1	(chain C and (resid 3 through 97 or resid 99 through 258 or resid 260 through 285 or resid 288))
4	1	(chain D and (resid 3 through 97 or resid 99 through 258 or resid 260 through 285 or resid 288))

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Selection details	Auth asym-ID	Auth seq-ID
1	1	1	(chain A and (resid 3 through 97 or resid 99 through 258 or resid 260 through 285 or resid 288))	A	3 - 97
1	2	1	(chain A and (resid 3 through 97 or resid 99 through 258 or resid 260 through 285 or resid 288))	A	99 - 258
1	3	1	(chain A and (resid 3 through 97 or resid 99 through 258 or resid 260 through 285 or resid 288))	A	260 - 285
1	4	1	(chain A and (resid 3 through 97 or resid 99 through 258 or resid 260 through 285 or resid 288))	A	288
2	1	1	(chain B and (resid 3 through 97 or resid 99 through 258 or resid 260 through 285 or resid 288))	B	3 - 97
2	2	1	(chain B and (resid 3 through 97 or resid 99 through 258 or resid 260 through 285 or resid 288))	B	99 - 258
2	3	1	(chain B and (resid 3 through 97 or resid 99 through 258 or resid 260 through 285 or resid 288))	B	260 - 285
2	4	1	(chain B and (resid 3 through 97 or resid 99 through 258 or resid 260 through 285 or resid 288))	B	288
3	1	1	(chain C and (resid 3 through 97 or resid 99 through 258 or resid 260 through 285 or resid 288))	C	3 - 97
3	2	1	(chain C and (resid 3 through 97 or resid 99 through 258 or resid 260 through 285 or resid 288))	C	99 - 258
3	3	1	(chain C and (resid 3 through 97 or resid 99 through 258 or resid 260 through 285 or resid 288))	C	260 - 285
3	4	1	(chain C and (resid 3 through 97 or resid 99 through 258 or resid 260 through 285 or resid 288))	C	288
4	1	1	(chain D and (resid 3 through 97 or resid 99 through 258 or resid 260 through 285 or resid 288))	D	3 - 97
4	2	1	(chain D and (resid 3 through 97 or resid 99 through 258 or resid 260 through 285 or resid 288))	D	99 - 258
4	3	1	(chain D and (resid 3 through 97 or resid 99 through 258 or resid 260 through 285 or resid 288))	D	260 - 285
4	4	1	(chain D and (resid 3 through 97 or resid 99 through 258 or resid 260 through 285 or resid 288))	D	288

#1: Protein	Dyp-type peroxidase family protein / Mass: 31326.199 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas putida (bacteria) Strain: ATCC 47054 / DSM 6125 / CFBP 8728 / NCIMB 11950 / KT2440 Gene: PP_3248 / Production host: Escherichia coli (E. coli) / References: UniProt: Q88HV5
#2: Chemical	ChemComp-HEM / PROTOPORPHYRIN IX CONTAINING FE / HEME / Heme B Mass: 616.487 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₃₄H₃₂FeN₄O₄ / Feature type: SUBJECT OF INVESTIGATION
#3: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 139 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	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: 4.12 Å³/Da / Density % sol: 70.13 %
Crystal grow	Temperature: 293.15 K / Method: vapor diffusion, hanging drop Details: 0.2 M magnesium formate dihydrate and 20 % w/v PEG 3350

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: MASSIF-3 / Wavelength: 0.9677 Å
Detector	Type: DECTRIS EIGER X 4M / Detector: PIXEL / Date: Mar 10, 2017
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9677 Å / Relative weight: 1
Reflection twin	Operator: -h,-k,l / Fraction: 0.18
Reflection	Resolution: 2.599→101.051 Å / Num. obs: 64014 / % possible obs: 99.8 % / Redundancy: 7.3 % / CC_1/2: 0.996 / R_pim(I) all: 0.054 / Net I/σ(I): 9.49
Reflection shell	Resolution: 2.6→2.76 Å / Num. unique obs: 12914 / CC_1/2: 0.316 / R_pim(I) all: 0.381

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Processing

Software

Name	Version	Classification
XSCALE		data scaling
PHENIX	1.13_2998	refinement
PDB_EXTRACT	3.27	data extraction
XDS		data reduction
MoRDa		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 2IIZ

2iiz

Resolution: 2.599→101.051 Å / Cross valid method: FREE R-VALUE / σ(F): 187.64 / Phase error: 31.19 / Stereochemistry target values: TWIN_LSQ_F

	R_factor	Num. reflection	% reflection
R_free	0.2353	2703	4.22 %
R_work	0.2191	61314	-
obs	0.2198	64014	99.87 %

Solvent computation

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

Displacement parameters

B_iso max: 151.36 Å² / B_iso mean: 52.3773 Å² / B_iso min: 20 Å²

Refinement step

Cycle: final / Resolution: 2.599→101.051 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	8731	0	172	139	9042
B_iso mean	-	-	41.98	44.38	-
Num. residues	-	-	-	-	1133

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Number	Refine-ID	Rms	Type
1	1	A	5366	X-RAY DIFFRACTION	8.409	TORSIONAL
1	2	B	5366	X-RAY DIFFRACTION	8.409	TORSIONAL
1	3	C	5366	X-RAY DIFFRACTION	8.409	TORSIONAL
1	4	D	5366	X-RAY DIFFRACTION	8.409	TORSIONAL

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 (%)
2.5992-2.6465	1.3277	1	0.3105	3306	99
2.6465-2.6974			0.2921	3327	100
2.6974-2.7525	0.2898	395	0.283	2927	88
2.7525-2.8123			0.2737	3344	100
2.8123-2.8778			0.2644	3340	100
2.8778-2.9497	0.3008	375	0.2576	2959	89
2.9497-3.0295			0.257	3377	100
3.0295-3.1186	0.2932	310	0.2386	2996	91
3.1186-3.2193			0.2446	3366	100
3.2193-3.3344	0.2391	298	0.2332	3045	91
3.3344-3.4679			0.2287	3343	100
3.4679-3.6257	0.2319	228	0.2081	3132	93
3.6257-3.8169			0.1971	3366	100
3.8169-4.056	0.2165	232	0.185	3160	93
4.056-4.3692	0.1852	177	0.1832	3201	95
4.3692-4.8089	0.2087	152	0.1775	3208	95
4.8089-5.5047	0.2029	150	0.193	3264	96
5.5047-6.9351	0.2226	203	0.2152	3243	94
6.9351-101.051	0.2435	179	0.238	3410	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	5.5128	-0.669	0.4516	2.5285	1.0997	2.8649	0.4942	0.8456	-0.1242	-0.4147	-0.6924	-0.2405	-0.3449	0.9516	0.0571	0.4785	0.0001	-0.091	0.7519	-0.0297	0.2205	-48.1916	46.9416	6.3117
2	0.3809	-0.2402	-0.3324	0.586	0.0662	1.2927	-0.121	0.1231	-0.1335	-0.11	-0.2597	0.1294	0.1827	0.1344	-0.6711	0.6052	-0.0821	-0.0064	0.5399	-0.139	-0.3525	-61.8592	37.156	8.3717
3	3.227	0.2396	-1.3604	6.1125	2.4181	6.2253	0.2702	0.0817	-0.2665	0.0763	-0.2544	-0.2116	0.6919	-0.2948	0.2192	0.3963	0.004	-0.0241	0.4267	0.0633	0.2106	-52.1609	30.9019	23.9482
4	0.5707	-0.3489	0.3499	1.7239	-0.1811	2.4819	0.0974	0.0959	0.1454	-0.0441	-0.2103	-0.2166	-0.0851	0.1167	0.0021	0.3743	0.0183	0.0212	0.5168	-0.0218	0.0453	-61.3475	47.7546	15.7124
5	4.829	-0.975	-2.8865	5.523	0.7006	5.2994	-0.2833	-0.1589	-0.0088	-0.2941	-0.1956	-0.5146	-0.1839	1.1027	0.253	0.3627	-0.0067	-0.0641	0.6155	0.0603	0.1493	-44.486	42.2833	12.3909
6	1.0183	1.5556	0.3357	5.4661	3.2642	5.3678	0.1592	-0.4961	0.2067	0.2388	-0.7414	0.7038	0.117	-0.6982	0.2374	0.4269	-0.0652	-0.1237	0.5924	-0.0522	0.3037	-59.5955	51.4272	34.9101
7	1.7084	-1.1376	1.2008	3.0336	1.7312	3.6684	-0.0121	-0.6954	0.3961	0.5604	0.0204	-0.2464	-0.4469	0.4092	0.1766	0.5918	-0.2072	-0.0826	0.6105	-0.1079	0.2145	-48.6012	59.0172	37.3129
8	2.9478	-0.332	1.1312	2.8846	-0.3131	4.6009	-0.2632	-0.0382	0.0894	-0.0073	-0.1437	-0.6852	-0.0378	0.7516	0.0698	0.3883	-0.0818	-0.0254	0.6063	0.0317	0.173	-45.5457	48.9465	27.9162
9	1.1265	1.1458	-0.0263	1.6596	-1.5133	4.5579	-0.2762	-0.0686	-0.1591	0.0609	-0.2258	-0.4991	0.214	0.9119	0.043	0.3558	-0.0507	-0.0346	0.6038	-0.0492	0.1579	-47.957	40.6615	24.6053
10	1.615	0.3365	2.3505	1.9213	-0.113	6.0631	0.1145	-0.0803	-0.2306	0.1485	-0.1029	-0.1994	0.5886	0.4723	-0.1217	0.3357	-0.0403	-0.0091	0.4204	0.0623	0.201	-51.7915	38.6346	19.7502
11	8.1024	-2.5603	2.783	6.7146	-4.512	7.8262	0.1885	-0.8804	-0.3846	-0.2852	-0.1253	0.652	1.2547	-0.4988	-0.0096	0.5506	-0.0127	-0.0051	0.6985	-0.0506	0.4502	-110.0528	36.1996	36.2827
12	1.1093	0.6128	-0.3257	3.7119	-1.7325	5.4574	0.028	0.2563	-0.1384	-0.2577	0.1116	0.338	0.3452	-0.4833	-0.0326	0.3347	0.0511	-0.0356	0.5028	-0.0805	0.2101	-101.0285	39.7116	22.5278
13	6.4725	2.3598	2.951	4.8129	2.3638	6.3614	-0.3624	0.0136	0.4813	-0.582	0.0108	0.2197	-1.0034	-0.5632	0.3929	0.5299	0.1325	0.0342	0.3655	-0.0087	0.1265	-101.9464	57.7887	29.6355
14	1.4588	0.153	1.7552	1.9773	0.2528	2.3582	0.1968	0.0079	-0.2601	0.0174	0.044	0.1146	0.1768	-0.2712	-0.1086	0.3928	0.0758	0.0066	0.4358	-0.0206	0.2357	-94.3356	38.5682	33.4758
15	2.9018	-0.9776	1.499	4.5461	0.9905	4.0123	0.1875	0.198	-0.0995	0.1001	-0.4461	1.1417	0.0308	-1.3586	0.2431	0.4777	0.0489	-0.0557	0.778	-0.0707	0.388	-110.8584	44.4763	37.6371
16	4.6059	1.4174	2.7247	2.3215	1.5911	8.6337	0.2934	-0.1776	-0.2555	0.2407	0.0116	-0.2727	0.0704	0.9201	-0.4539	0.5759	0.0976	-0.0392	0.5749	0.0275	0.0827	-84.18	51.0771	44.9726
17	0.9949	0.0327	0.4671	0.7057	0.8104	1.1182	0.0574	-0.4707	0.0154	0.4078	-0.1785	0.01	0.0118	-0.1302	-0.0416	0.6405	0.0932	-0.0383	0.6113	-0.0232	0.0256	-89.3087	51.503	57.5658
18	1.5775	1.8295	1.2194	2.4479	0.5168	3.3543	0.1201	-0.4122	0.1752	0.3319	-0.0906	0.3825	-0.0395	-0.706	-0.0633	0.5701	0.1959	-0.0216	0.7281	0.0083	0.1806	-99.7988	51.5121	48.1286
19	1.3229	1.4318	1.0423	2.988	0.4077	1.4659	0.0116	-0.0383	0.1962	0.1617	-0.0492	0.683	-0.214	-0.3814	0.1937	0.5438	0.1975	-0.0259	0.5955	-0.0855	0.1957	-102.0282	53.4913	39.3521
20	1.9009	-0.3889	0.0236	3.0874	0.8322	3.3157	-0.0946	0.0286	-0.214	-0.0007	0.0333	0.4607	-0.1907	-0.4294	0.0101	0.3872	0.161	0.0405	0.5214	0.0632	0.0724	-102.4526	50.1712	33.2891
21	4.1519	3.2103	2.5336	3.2751	1.9827	1.6679	-0.8028	-0.9134	-0.1211	0.252	0.1019	0.3027	0.5988	-0.5963	0.7578	0.7541	-0.0364	0.1178	0.5117	-0.0483	0.2741	-71.4808	17.3861	49.8714
22	0.994	0.2969	-0.1692	0.286	0.0907	0.7167	0.0446	-0.0912	0.0208	0.0809	-0.0923	0.138	-0.11	0.4267	0.1491	0.6406	-0.0338	-0.0493	0.4589	-0.0164	-0.147	-65.8324	32.8959	47.489
23	3.1755	-0.7702	-0.7856	5.9843	0.7396	4.9747	-0.1856	-0.0445	-0.0266	-0.2833	-0.157	-0.5393	0.4908	0.8415	0.3139	0.3753	-0.0085	0.06	0.322	0.065	0.2733	-57.2222	24.578	32.1829
24	2.6335	-0.5314	0.0492	0.9127	0.5085	3.9708	-0.0572	-0.0592	-0.258	0.1769	0.0128	0.3209	-0.0841	-0.2606	-0.1201	0.4592	0.0369	-0.0113	0.3213	0.0456	0.0989	-75.8788	29.4989	40.1291
25	4.8567	-0.7973	2.3915	3.6934	-2.4783	7.5381	-0.0705	-0.22	-0.4001	0.2419	-0.1608	-0.2436	0.986	-0.1219	0.1608	0.6012	0.0287	0.1198	0.3067	-0.0181	0.2361	-66.36	14.5747	43.8054
26	5.0636	0.5541	2.4275	5.7699	3.9078	6.305	-0.0307	0.1341	0.2477	-0.2113	-0.2959	0.2529	0.0418	-0.8249	0.3898	0.5716	-0.0116	-0.0446	0.4651	-0.0511	0.186	-78.7566	26.2186	21.0791
27	9.4158	2.7645	-3.8061	3.479	-4.9036	6.917	-0.2853	0.8286	-1.3676	-1.1982	0.0366	-0.2691	0.8277	-1.0249	0.1769	0.7934	-0.0535	-0.1568	0.5228	-0.2098	0.4692	-83.2613	13.5248	18.81
28	2.6001	0.4105	-0.1863	2.547	1.2295	5.7293	0.0123	-0.0056	-0.665	0.052	-0.2248	0.0521	1.1422	-0.1857	0.1685	0.5631	-0.0523	0.0339	0.3393	0.0118	0.338	-72.8436	13.6169	28.2571
29	2.7272	1.1123	-1.0822	0.4609	-0.3266	3.7892	-0.2471	0.0477	-0.6623	0.066	-0.1388	-0.1601	0.708	0.4485	0.0282	0.738	0.1404	-0.0189	0.3988	-0.0394	0.1384	-65.5423	18.119	31.5408
30	2.7738	0.1271	-1.0799	1.7892	1.6156	5.8875	-0.1428	0.0736	-0.1283	-0.0142	-0.1207	-0.1864	0.2596	0.4956	0.0824	0.3776	0.0452	0.0089	0.2094	0.0424	0.2217	-64.5925	22.3776	36.3747
31	8.6303	3.2215	-4.5566	1.4946	-2.6002	5.5177	0.3522	-0.1992	1.8742	-0.5035	0.1272	-1.1906	0.8848	0.2081	-0.5145	0.919	-0.0325	-0.0553	0.4726	0.0406	0.6409	-76.0578	79.3546	18.9633
32	3.2116	-0.6893	-0.069	3.2295	0.1511	3.8577	-0.0055	-0.2824	0.3652	0.1354	0.1417	0.01	-0.6054	0.2871	-0.0559	0.5166	0.0092	-0.0194	0.3835	-0.0593	0.1438	-77.8089	69.956	32.7946
33	5.1448	0.9928	3.4144	7.922	2.4646	6.1754	0.422	-0.4517	0.6187	0.6355	-0.7551	-0.0567	0.2027	-1.0078	0.2844	0.4689	0.1443	0.0648	0.6181	0.0272	0.2255	-95.3252	66.3352	25.4278
34	1.6815	0.0529	0.541	1.2512	1.5481	2.4441	0.1087	0.2106	0.0772	0.0066	0.1225	-0.3216	-0.4698	0.1858	-0.1581	0.4487	-0.0049	-0.0281	0.3921	0.0377	0.1693	-74.9826	63.5601	21.8728
35	6.1635	0.0842	0.4148	5.201	-0.9605	3.1944	-0.3123	0.3035	1.1596	-0.2071	0.1709	-0.4707	-1.0494	-0.2482	0.2885	0.8337	0.1273	0.0097	0.4393	0.0353	0.3975	-84.6024	78.1991	17.4622
36	0.1108	0.5301	0.1622	2.644	1.3149	2.3036	0.1606	0.1747	-0.0725	-0.0931	-0.1088	-0.1102	0.5817	-0.1979	-0.0281	0.6362	0.2901	-0.0202	0.7702	0.0216	-0.0172	-84.2153	50.5983	10.4932
37	1.0766	0.1272	-0.0643	1.4067	-0.6755	3.2558	-0.1422	0.247	0.0749	-0.1371	0.0076	0.0759	-0.2448	-0.2675	-0.0355	0.58	0.0446	-0.0115	0.7603	-0.0562	-0.0235	-85.6026	55.4074	-2.1562
38	2.1362	0.8263	1.2458	1.4227	2.2362	3.4922	-0.0244	0.2695	0.2549	-0.4733	-0.1744	0.2076	-0.9098	-0.2551	0.2784	0.6481	0.1597	0.0282	0.6009	0.0469	0.1523	-88.4436	65.5477	7.1509
39	0.7311	0.0202	0.1817	1.3424	0.6536	2.5265	-0.1298	-0.1011	0.2412	0.1033	0.0194	0.1154	-0.8114	-0.4989	-0.0358	0.6579	0.2453	0.0058	0.5911	-0.024	0.0111	-91.0436	67.3017	15.7843
40	3.207	0.7733	1.4663	1.2296	0.8732	4.9687	-0.0816	0.0725	0.4248	-0.0332	0.0779	0.1846	-0.7415	0.0283	0.0687	0.5956	0.1738	0.0446	0.5536	0.0463	0.0274	-87.9015	68.4474	21.5224

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 3:10)	A	3 - 10
2	X-RAY DIFFRACTION	2	(chain A and resid 11:58)	A	11 - 58
3	X-RAY DIFFRACTION	3	(chain A and resid 59:78)	A	59 - 78
4	X-RAY DIFFRACTION	4	(chain A and resid 79:138)	A	79 - 138
5	X-RAY DIFFRACTION	5	(chain A and resid 139:158)	A	139 - 158
6	X-RAY DIFFRACTION	6	(chain A and resid 159:168)	A	159 - 168
7	X-RAY DIFFRACTION	7	(chain A and resid 169:185)	A	169 - 185
8	X-RAY DIFFRACTION	8	(chain A and resid 186:223)	A	186 - 223
9	X-RAY DIFFRACTION	9	(chain A and resid 224:247)	A	224 - 247
10	X-RAY DIFFRACTION	10	(chain A and resid 248:285)	A	248 - 285
11	X-RAY DIFFRACTION	11	(chain B and resid 3:10)	B	3 - 10
12	X-RAY DIFFRACTION	12	(chain B and resid 11:58)	B	11 - 58
13	X-RAY DIFFRACTION	13	(chain B and resid 59:78)	B	59 - 78
14	X-RAY DIFFRACTION	14	(chain B and resid 79:138)	B	79 - 138
15	X-RAY DIFFRACTION	15	(chain B and resid 139:158)	B	139 - 158
16	X-RAY DIFFRACTION	16	(chain B and resid 159:168)	B	159 - 168
17	X-RAY DIFFRACTION	17	(chain B and resid 169:185)	B	169 - 185
18	X-RAY DIFFRACTION	18	(chain B and resid 186:223)	B	186 - 223
19	X-RAY DIFFRACTION	19	(chain B and resid 224:247)	B	224 - 247
20	X-RAY DIFFRACTION	20	(chain B and resid 248:286)	B	248 - 286
21	X-RAY DIFFRACTION	21	(chain C and resid 3:10)	C	3 - 10
22	X-RAY DIFFRACTION	22	(chain C and resid 11:58)	C	11 - 58
23	X-RAY DIFFRACTION	23	(chain C and resid 59:78)	C	59 - 78
24	X-RAY DIFFRACTION	24	(chain C and resid 79:138)	C	79 - 138
25	X-RAY DIFFRACTION	25	(chain C and resid 139:158)	C	139 - 158
26	X-RAY DIFFRACTION	26	(chain C and resid 159:168)	C	159 - 168
27	X-RAY DIFFRACTION	27	(chain C and resid 169:185)	C	169 - 185
28	X-RAY DIFFRACTION	28	(chain C and resid 186:223)	C	186 - 223
29	X-RAY DIFFRACTION	29	(chain C and resid 224:247)	C	224 - 247
30	X-RAY DIFFRACTION	30	(chain C and resid 248:285)	C	248 - 285
31	X-RAY DIFFRACTION	31	(chain D and resid 3:10)	D	3 - 10
32	X-RAY DIFFRACTION	32	(chain D and resid 11:58)	D	11 - 58
33	X-RAY DIFFRACTION	33	(chain D and resid 59:78)	D	59 - 78
34	X-RAY DIFFRACTION	34	(chain D and resid 79:138)	D	79 - 138
35	X-RAY DIFFRACTION	35	(chain D and resid 139:158)	D	139 - 158
36	X-RAY DIFFRACTION	36	(chain D and resid 159:168)	D	159 - 168
37	X-RAY DIFFRACTION	37	(chain D and resid 169:185)	D	169 - 185
38	X-RAY DIFFRACTION	38	(chain D and resid 186:223)	D	186 - 223
39	X-RAY DIFFRACTION	39	(chain D and resid 224:247)	D	224 - 247
40	X-RAY DIFFRACTION	40	(chain D and resid 248:285 )	D	248 - 285

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