PDB-7beu: Human glutathione transferase M1-1

ID or keywords:

Entry

Database: PDB / ID: 7beu

Title

Human glutathione transferase M1-1

Components

Glutathione S-transferase Mu 1

Keywords

TRANSFERASE / Glutathione / Detoxification / Xenobiotics / Ligand binding

Function / homology

Function and homology information

nitrobenzene metabolic process / cellular detoxification of nitrogen compound / hepoxilin biosynthetic process / glutathione derivative biosynthetic process / glutathione binding / Glutathione conjugation / Paracetamol ADME / Azathioprine ADME / prostaglandin metabolic process / glutathione transferase ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.59 Å

Authors

Papageorgiou, A.C. / Poudel, N.

Citation

Journal: Int J Mol Sci / Year: 2022
Title: Ligandability Assessment of Human Glutathione Transferase M1-1 Using Pesticides as Chemical Probes.
Authors: Bodourian, C.S. / Poudel, N. / Papageorgiou, A.C. / Antoniadi, M. / Georgakis, N.D. / Abe, H. / Labrou, N.E.

History

Deposition	Dec 28, 2020	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Jan 12, 2022	Provider: repository / Type: Initial release
Revision 1.1	Apr 27, 2022	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.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
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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Download

PDBx/mmCIF format	7beu.cif.gz	473.8 KB	Display	PDBx/mmCIF format
PDB format	pdb7beu.ent.gz	322.5 KB	Display	PDB format
PDBx/mmJSON format	7beu.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	7beu_validation.pdf.gz	444.6 KB	Display	wwPDB validaton report
Full document	7beu_full_validation.pdf.gz	452.3 KB	Display
Data in XML	7beu_validation.xml.gz	45.1 KB	Display
Data in CIF	7beu_validation.cif.gz	68.1 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/be/7beu ftp://data.pdbj.org/pub/pdb/validation_reports/be/7beu	HTTPS FTP

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Related structure data

Related structure data	1gtuS S: Starting model for refinement
Similar structure data	1gtu-1 7beu-2 1gtu-2 1xwk-2 6gsu-d 1yj6-2 1xwk-1 1b4p-1 6gsy-d 4gtu-1 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 - FunctionF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#212 - Aug 2017 Glutathione Transferases similarity (11) #255 - Mar 2021 Cisplatin and DNA similarity (10)

Deposited unit

A: Glutathione S-transferase Mu 1

B: Glutathione S-transferase Mu 1

C: Glutathione S-transferase Mu 1

D: Glutathione S-transferase Mu 1

hetero molecules

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

1

A: Glutathione S-transferase Mu 1

D: Glutathione S-transferase Mu 1

hetero molecules

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

2

B: Glutathione S-transferase Mu 1

C: Glutathione S-transferase Mu 1

hetero molecules

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

Unit cell

Length a, b, c (Å)	49.118, 211.188, 49.435
Angle α, β, γ (deg.)	90.000, 116.232, 90.000
Int Tables number	4
Space group name H-M	P12₁1
Space group name Hall	P2yb

#1: Protein	Glutathione S-transferase Mu 1 / GST HB subunit 4 / GST class-mu 1 / GSTM1-1 / GSTM1a-1a / GSTM1b-1b / GTH4 Mass: 25746.842 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: GSTM1, GST1 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P09488, glutathione transferase
#2: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: Na
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1149 / 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: 2.23 Å³/Da / Density % sol: 44.92 % / Description: Rods
Crystal grow	Temperature: 289 K / Method: vapor diffusion, hanging drop / pH: 7.2 Details: HEPES 0.1 M (pH: 7.2), PEG 6000 18% (w/v) and ammonium chloride 0.2 M

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: PETRA III, EMBL c/o DESY / Beamline: P13 (MX1) / Wavelength: 1.0332 Å
Detector	Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Jun 6, 2017
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.0332 Å / Relative weight: 1
Reflection	Resolution: 1.59→52.8 Å / Num. obs: 112127 / % possible obs: 93.4 % / Redundancy: 2.8 % / B_iso Wilson estimate: 20.74 Å² / CC_1/2: 1 / R_rim(I) all: 0.064 / Net I/σ(I): 10.6
Reflection shell	Resolution: 1.59→1.65 Å / Redundancy: 2.1 % / Mean I/σ(I) obs: 2 / Num. unique obs: 8772 / CC_1/2: 0.78 / R_rim(I) all: 0.47 / % possible all: 73.1

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Processing

Software

Name	Version	Classification
PHENIX	1.17.1_3660	refinement
PDB_EXTRACT	3.27	data extraction
XDS		data processing
Aimless		data scaling
PHASER		phasing
XDS		data reduction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 1gtu

1gtu

Resolution: 1.59→52.8 Å / SU ML: 0.2188 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 22.3944
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2258	5544	4.94 %
R_work	0.1877	106571	-
obs	0.1896	112115	93.36 %

Solvent computation

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

Displacement parameters

B_iso mean: 27.41 Å²

Refinement step

Cycle: LAST / Resolution: 1.59→52.8 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	7248	0	7	1149	8404

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0061	7456
X-RAY DIFFRACTION	f_angle_d	0.8569	10060
X-RAY DIFFRACTION	f_chiral_restr	0.0525	1043
X-RAY DIFFRACTION	f_plane_restr	0.0055	1283
X-RAY DIFFRACTION	f_dihedral_angle_d	11.1228	964

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 (%)
1.59-1.61	0.3243	79	0.2978	1448	X-RAY DIFFRACTION	38.17
1.61-1.63	0.3092	188	0.2826	3285	X-RAY DIFFRACTION	87.02
1.63-1.65	0.2987	228	0.2549	3544	X-RAY DIFFRACTION	93.92
1.65-1.67	0.2927	183	0.2402	3698	X-RAY DIFFRACTION	98.08
1.67-1.69	0.274	185	0.2403	3768	X-RAY DIFFRACTION	98.19
1.69-1.71	0.2937	228	0.2328	3682	X-RAY DIFFRACTION	98.27
1.71-1.74	0.3	169	0.2255	3778	X-RAY DIFFRACTION	98.16
1.74-1.77	0.2376	174	0.2245	3742	X-RAY DIFFRACTION	97.88
1.77-1.79	0.2842	180	0.2126	3693	X-RAY DIFFRACTION	97.88
1.79-1.82	0.2658	228	0.2164	3754	X-RAY DIFFRACTION	98.35
1.82-1.85	0.2472	203	0.2084	3686	X-RAY DIFFRACTION	98.01
1.85-1.89	0.2514	178	0.203	3730	X-RAY DIFFRACTION	97.82
1.89-1.92	0.2701	217	0.208	3714	X-RAY DIFFRACTION	98.3
1.92-1.96	0.2871	188	0.2045	3747	X-RAY DIFFRACTION	98.18
1.96-2.01	0.2331	207	0.2016	3720	X-RAY DIFFRACTION	98.22
2.01-2.05	0.2345	191	0.2005	3708	X-RAY DIFFRACTION	97.84
2.05-2.1	0.2425	194	0.201	3696	X-RAY DIFFRACTION	97.06
2.1-2.16	0.2249	212	0.1919	3624	X-RAY DIFFRACTION	95.66
2.16-2.22	0.2311	204	0.1873	3602	X-RAY DIFFRACTION	95.2
2.22-2.3	0.225	184	0.1827	3558	X-RAY DIFFRACTION	94.47
2.3-2.38	0.2468	177	0.187	3676	X-RAY DIFFRACTION	95.82
2.38-2.47	0.2294	189	0.1843	3655	X-RAY DIFFRACTION	94.56
2.47-2.59	0.224	169	0.1862	3546	X-RAY DIFFRACTION	93.51
2.59-2.72	0.2332	177	0.1882	3562	X-RAY DIFFRACTION	93.64
2.72-2.89	0.2214	180	0.1889	3531	X-RAY DIFFRACTION	91.88
2.89-3.12	0.204	172	0.178	3495	X-RAY DIFFRACTION	92.34
3.12-3.43	0.1971	196	0.1805	3481	X-RAY DIFFRACTION	92.16
3.43-3.93	0.2024	175	0.1643	3495	X-RAY DIFFRACTION	91.57
3.93-4.94	0.1791	172	0.1591	3479	X-RAY DIFFRACTION	89.95
4.95-52.8	0.218	117	0.1813	3474	X-RAY DIFFRACTION	89.02

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	0.123443355738	0.00877184392332	-0.00256701505842	0.183515601889	0.0434407464607	0.0720024268175	0.172702714174	-0.0539635196652	-0.211789570755	-0.00843868197335	-0.053471062929	-0.249993854278	0.193000983578	0.122615753743	0.0055922397394	0.141311277756	0.00752669148512	-0.0299532517593	0.167950893005	0.0131930991579	0.179224901241	59.4925339471	129.481292637	15.0651539149
2	0.116253559396	-0.0899008899965	-0.157185130498	0.290345540441	-0.0869273308909	0.42773230999	0.153835765917	-0.344640354393	-0.0978348772465	0.159368709354	-0.00301638719791	-0.110241738362	0.323938854049	-0.28656648494	0.686643329886	0.218883137848	-0.0940292285106	-0.399763996502	0.353101179462	0.142744179839	-0.0570901607171	63.8083477297	135.2564266	32.5485977901
3	0.179552110551	0.0570587773042	0.0918506028947	0.41458113926	-0.27749061132	0.314704737894	-0.108003579579	0.0507683689174	0.0973025856906	-0.122786419149	-0.033025114805	-0.181544646753	-0.0370246766805	0.0819605134298	-0.0078551610987	0.114433087119	-0.01477904932	0.029867742919	0.150231404764	0.0138003321927	0.153740895491	59.6096284918	140.049526445	11.242988218
4	0.265065600574	0.330750007662	0.0559182961996	0.354045076636	0.0494901961306	0.0538103168849	-0.0563696941604	-0.0817333139728	0.103257126206	0.0637884979122	-0.101801601661	-0.00872764659448	-0.177264247427	0.13305545773	-0.00106329204525	0.181309695696	-0.0120446261228	-0.0121784519276	0.161154391262	0.00591072571978	0.155965767303	42.9528077352	140.313705388	15.3569825138
5	0.131288318592	0.141362307106	0.0443913590529	0.27479662347	-0.0773761959893	0.110043744315	0.0117840764436	-0.249958904156	0.0757877799673	0.19882342883	-0.0501864103718	0.228225317315	-0.228269042693	-0.191339360187	-0.00984845209108	0.218882666537	-0.0117716359686	0.0433601835379	0.276263085746	0.0010441916369	0.180083856074	34.4012421333	134.992780615	25.3975988035
6	0.355853505018	0.044279970494	0.15151065023	0.459924788878	0.292930016468	0.222045744014	0.02136031456	-0.085338902465	0.00323599066635	-0.0282698642015	-0.0504696658557	0.111448147282	0.0998098182955	-0.0538985987582	-0.00083640323584	0.136943655313	-0.023184350154	-0.016310926535	0.124126915692	-0.00979131408155	0.128689354574	39.2703906273	128.125600422	11.7710615265
7	0.44803367667	0.169973484285	-0.0892480715398	0.0717255320915	-0.11503649015	0.297424640541	0.032487166279	-0.167100355822	-0.27017447549	0.175341867687	-0.0648441218456	-0.0343905026894	0.247325011591	-0.00716622302691	-0.119621410501	0.196594016928	-0.0163815960735	-0.049005732907	0.201295239734	0.0551934490718	0.169343095503	51.7060956842	123.654081871	20.7788870193
8	0.193726834076	0.0266595127202	-0.0913869134615	0.0786303423004	-0.0824562870521	0.189271569813	-0.160560518187	-0.0750534109476	-0.402196567436	0.330001682421	0.0823938035513	0.0639990000036	0.245859259743	-0.0580626077443	-0.0450592447144	0.198557363989	0.025861115094	0.0377347882816	0.164378916543	0.0307735484276	0.192098901492	32.404165039	77.5437682376	7.55833606135
9	0.475420247336	0.107211619629	0.0640519307664	0.234837455312	0.3012868777	0.535260587322	0.180675722316	-0.264674634497	-0.252451148829	0.373608697462	-0.0110940190593	0.422596793029	0.181121955848	-0.343727954751	0.230815475461	0.246919131648	0.0500892375323	0.169648134153	0.354922358372	0.126912582347	0.364075676391	21.946175671	79.9443506624	12.53137569
10	0.129831482284	0.137941581916	0.00761640238367	0.816328343492	0.0868525567738	0.0488435471724	-0.0203052958523	-0.100787212568	-0.0831045676656	0.244251605742	0.0283788425749	-0.164843469757	-0.0891019557204	0.0500328071283	0.0332817279439	0.185282396009	0.0249041564736	-0.0086262355557	0.182731767454	0.0188296617633	0.120287828955	36.4244553866	87.6141127365	9.62355998565
11	0.224221017307	-0.167974173701	0.122714834326	0.425751738383	0.0422188458559	0.145996685786	-0.044408698481	-0.249625961455	-0.350497025097	0.0847157948684	0.0591504944157	0.100363504186	-0.0472107327946	-0.119085084967	0.0032528250685	0.154826788178	0.00544317207886	0.0290821591046	0.145688343379	0.015239174544	0.195700148912	34.2620665323	87.9036770917	-7.60931690824
12	0.188783355197	0.164101725386	-0.0292599239563	0.412213970574	-0.222887141173	0.141845340787	-0.176162728823	0.24381668202	0.0367564187661	-0.278865115514	0.211325984893	0.227761749595	-0.0340019571074	-0.283374662876	-0.00890951935007	0.223641877801	-0.0136208961984	-0.0329496567559	0.276233263767	0.0325260537076	0.321996862599	23.4231840913	82.4277600296	-15.6137143763
13	0.836751359259	0.0405641949747	-0.145368838191	0.319721833644	0.37122693453	0.481584999202	-0.131867496769	-0.163693492164	-0.294821085689	-0.276503647389	0.0476817597297	-0.365486939608	-0.120408565698	0.372933208774	-0.0380823436461	0.178067895386	0.00867578632277	0.0955637635578	0.157927507404	0.00724056653762	0.299713266799	46.5557684044	78.9680742549	-10.5178753922
14	0.147874860226	-0.066946249443	0.0525340739706	0.368225767217	-0.116485494136	0.220557061325	-0.0402103782225	-0.0839563230272	-0.272690390369	-0.143984366607	0.0679889641219	0.130335329236	0.14775407666	-0.0747145177426	0.00206873174355	0.181366191557	-0.00708154551657	0.0173877017591	0.122705663706	0.00389047310279	0.260747423261	33.6812032377	74.206424246	-10.781813693
15	0.0620884250504	0.00125704943648	-0.126822213389	0.0325163443903	0.08587767664	0.4665243123	0.00320957663015	0.137521383256	-0.00702567341075	0.235601068482	0.0423433210011	0.194875807195	0.163271003253	-0.264675829359	-0.00908101888169	0.263511637049	0.000493601055649	0.0260464380368	0.196064147416	0.0678725615724	0.340725069054	27.2766383664	71.1723969542	1.40611913983
16	0.0226436569428	-0.00234048698102	0.0215300731317	0.127064469791	0.168485024722	0.180286154494	-0.058214443248	0.0501350184884	0.102975207121	-0.138638671619	0.0184883098493	-0.0379947543215	-0.235495250201	0.0256095124638	-0.00307132854614	0.132726627748	-0.0163686731105	0.00295218378643	0.134679038472	0.0135202214533	0.108293281452	38.4258528472	108.438353348	-12.4440175454
17	0.0397588867252	-0.0147914040165	-0.00117133991449	0.0410818989837	0.0169523930965	-0.00135455905435	0.0488423219386	-0.0133447823868	0.216450741116	-0.322613825938	-0.0710504236156	0.145218505114	-0.0583434847845	-0.00943818944633	-0.000248147727164	0.227479789869	0.0229047317531	-0.0783745314177	0.252491412906	0.00367843414622	0.178880789882	22.9878902978	103.370716487	-23.4353330425
18	0.277797408508	-0.199468373226	0.0477345175796	0.587587079805	-0.101031364003	0.295953870292	-0.0238771389729	-0.00430325386623	0.0188809943869	-0.102951078621	-0.00516997336388	-0.118103673962	0.1085929888	0.133526034092	-0.0132381846409	0.1006231968	0.00648755728931	0.0348982927855	0.149251226217	0.00706094863157	0.124859893959	41.4736327203	98.0037294598	-11.8656895266
19	0.0668023046566	0.0922308621393	-0.0166943330504	0.356359233133	0.195296666137	0.204515634885	0.110627534613	0.226331716831	-0.241911140649	-0.125761706901	-0.0378460895109	-0.0636225216663	0.151446299402	-0.0110716116771	0.000960789450344	0.134602350589	-0.0144502096928	-0.000102199219742	0.166906122333	-0.00494490203329	0.142835958918	31.7265620381	97.4952395577	3.17312222542
20	0.0144704581743	-0.0560200640411	-0.0473829266083	0.376779323658	0.112626180443	0.110244693424	0.0939637524795	-0.0228972958626	-0.150984525495	0.0552987990834	-0.0598806369757	0.239969056629	0.0857892389908	-0.185936042245	-0.00143470080043	0.11668796887	-0.0153335272257	0.000200523110144	0.252315932811	-0.0363326881949	0.198468469162	18.2389568165	102.833450708	4.84186997584
21	0.324106506098	0.232454117975	-0.327025609937	0.575932312599	-0.178581170361	0.616382431714	-0.0157004374914	-0.108884907289	0.0636437257801	0.0810503114586	-0.0614729406869	0.0208796944492	-0.0735453596956	0.0335642845789	-0.332446885977	0.106908121812	-0.00671317655147	-0.00735437738984	0.141289034627	-0.0269762486934	0.107806729932	32.3678157259	110.113950224	7.05922253373
22	0.0973850937198	0.0523902481647	-0.0402965977505	0.101339785522	-0.0841347023208	0.299068957753	-0.0413475144762	0.0301439145973	0.16841011356	-0.186887598524	0.0314616367523	0.0802539142606	-0.29553111157	-0.155798527824	0.0238190800254	0.197049510377	-0.010686911101	-0.0265532906787	0.192037639989	-0.0182943008484	0.166011911895	29.7741444968	114.205417782	-8.33002603565
23	0.614420177803	-0.0126675140337	-0.255960559179	0.280410876435	0.00353578263592	0.311579717345	0.136095343471	-0.0471119748207	0.412336900787	-0.0590951666059	0.0343528614588	0.357510627544	-0.234808368452	-0.0514564571018	0.0468559616483	0.171634577907	0.015168334857	0.0358531624372	0.161319128694	0.0338764466662	0.276953506947	37.5385655581	160.946990741	11.228200617
24	0.212894894622	-0.247257119451	0.0734597877796	0.290123217851	-0.0863387917844	0.0292160916382	0.13556567144	-0.201986769653	-0.068399758999	0.349592463959	0.171910516155	0.283826943302	-0.37515601333	-0.539464195505	0.543380118753	0.387493150537	0.0411600855923	0.189281611045	0.435254653349	0.0684937981703	0.362949831353	26.8966406159	155.328029886	26.4284882429
25	0.101664451259	0.0212968036392	0.0370723907613	0.492587319914	0.0227150230402	0.152967912087	-0.0830602320106	-0.03660971227	-0.0463604486243	-0.291472198098	0.101115332763	0.214637133686	0.00557566541	-0.00938066938636	0.0085596166457	0.165954611106	-0.0152787823083	-0.027051615142	0.148113259797	0.0246827757422	0.21385988552	38.9425914137	150.584683035	7.58927054095
26	0.109419468746	-0.162395223409	0.107711619216	0.332003386683	-0.116254810647	0.0935533178526	-0.0746557603287	-0.109387645161	-0.0130256988851	0.0262405041181	0.108824226486	0.0139210070884	-0.120849440056	-0.09327633496	0.00218779767924	0.169025110631	0.0129903095521	0.0393961476512	0.201938218243	0.0221403595634	0.157386605424	52.6371278022	150.124060791	17.9375268222
27	0.0763419347816	0.129740261256	-0.119373265041	1.09176156094	-0.0755963814024	0.293568382255	-0.276746901022	-0.406971818782	0.1495380224	0.371669387374	0.230198408414	-0.345410645376	-0.153946173069	-0.00137595245343	-0.261013795147	0.3090422461	0.152224166147	-0.0652148733015	0.391178542058	-0.0789385383783	0.171714535297	56.3223732907	155.060894885	30.5710699163
28	0.0626045409241	-0.0151005750755	-0.0726800284713	0.132150970699	0.0731238787868	0.19077006696	-0.0488013468911	0.0215700935801	0.0303362589184	-0.140787607728	-0.105894933444	-0.39241088313	0.0511753142418	0.0817009230585	-0.0790330985421	0.186498182551	0.0107802198537	0.0787158635709	0.166194882771	0.0658647236809	0.316944234711	61.336910932	159.20794563	7.88951535518
29	0.74047843886	0.0527680139579	-0.131886894738	0.412532193673	-0.321153556911	0.348216278627	-0.137918393361	-0.0395472232321	0.272870529069	0.14978549048	0.106722656933	-0.202994782171	-0.225505902233	-0.0514451543641	0.0180385662968	0.192827373085	0.0021556061777	-0.00215312329237	0.118715232139	-0.0426660221141	0.269591159411	55.787494442	163.667830723	19.5693303148
30	0.480809460647	0.084008551828	0.359502205718	0.0410901359487	0.104105934609	0.30893359838	-0.363713979713	-0.246103936927	0.222545082995	0.314568547657	0.0211552921084	0.0331056881255	-0.101669628688	-0.129097491252	-0.330261793738	0.342932603557	0.0851950893248	0.0874589057429	0.251936493644	-0.0088743354334	0.26858060253	42.0337054049	166.556984346	19.8270625319

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 0 through 32 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 33 through 49 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 50 through 89 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 90 through 115 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 116 through 141 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 142 through 189 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 190 through 217 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 0 through 22 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 23 through 48 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 49 through 89 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 90 through 114 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 115 through 141 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 142 through 153 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 154 through 189 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 190 through 217 )
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 0 through 32 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 33 through 46 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 47 through 89 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 90 through 114 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 115 through 141 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 142 through 189 )
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 190 through 217 )
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 0 through 32 )
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 33 through 48 )
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 49 through 89 )
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 90 through 115 )
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 116 through 141 )
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 142 through 153 )
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 154 through 189 )
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 190 through 217 )

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