PDB-8trf: Crystal structure of SM0281, an alpha/beta hydrolase from Sinorhi...

ID or keywords:

Entry

Database: PDB / ID: 8trf

Title

Crystal structure of SM0281, an alpha/beta hydrolase from Sinorhizobium meliloti

Components

AB hydrolase-1 domain-containing protein

Keywords

HYDROLASE / alpha/beta hydrolase

Function / homology

mycophenolic acid acyl-glucuronide esterase / : / palmitoyl[protein] hydrolase / Alpha/beta hydrolase family / Alpha/beta hydrolase fold-1 / Alpha/Beta hydrolase fold / hydrolase activity / Chem-PE3 / Palmitoyl-protein thioesterase ABHD10, mitochondrial

Function and homology information

Biological species

Rhizobium meliloti (bacteria)

Method

X-RAY DIFFRACTION /

MOLECULAR REPLACEMENT / Resolution: 2.46 Å

Authors

Stogios, P.J. / Evdokimova, E. / Lemak, S. / Edwards, E. / Yakunin, A. / Savchenko, A.

Funding support

Canada, 1items

Citation

Journal: To Be Published
Title: Crystal structure of SM0281, an alpha/beta hydrolase from Sinorhizobium meliloti
Authors: Lemak, S.

History

Deposition	Aug 9, 2023	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Feb 12, 2025	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	8trf.cif.gz	466.4 KB	Display	PDBx/mmCIF format
PDB format	pdb8trf.ent.gz	340.8 KB	Display	PDB format
PDBx/mmJSON format	8trf.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	8trf_validation.pdf.gz	1.6 MB	Display	wwPDB validaton report
Full document	8trf_full_validation.pdf.gz	1.6 MB	Display
Data in XML	8trf_validation.xml.gz	47.8 KB	Display
Data in CIF	8trf_validation.cif.gz	62.1 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/tr/8trf ftp://data.pdbj.org/pub/pdb/validation_reports/tr/8trf	HTTPS FTP

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Related structure data

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
Related items in Molecule of the Month	#165 - Sep 2013 Designed Protein Cages similarity (1) #220 - Apr 2018 Dehalogenases similarity (1)

Deposited unit

A: AB hydrolase-1 domain-containing protein

B: AB hydrolase-1 domain-containing protein

C: AB hydrolase-1 domain-containing protein

D: AB hydrolase-1 domain-containing protein

hetero molecules

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

1

B: AB hydrolase-1 domain-containing protein

C: AB hydrolase-1 domain-containing protein

hetero molecules

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

2

A: AB hydrolase-1 domain-containing protein

hetero molecules

D: AB hydrolase-1 domain-containing protein

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

Unit cell

Length a, b, c (Å)	85.528, 130.173, 136.428
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	19
Space group name H-M	P2₁2₁2₁
Space group name Hall	P2ac2ab
Symmetry operation	#1: x,y,z #2: x+1/2,-y+1/2,-z #3: -x,y+1/2,-z+1/2 #4: -x+1/2,-y,z+1/2

#1: Protein	AB hydrolase-1 domain-containing protein Mass: 30589.666 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Rhizobium meliloti (strain 1021) (bacteria) Strain: 1021 / Gene: SMc00361 / Plasmid: p15Tv-LIC / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q92KS5
#2: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C₃H₈O₃
#3: Chemical	ChemComp-PE3 / 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL / POLYETHYLENE GLYCOL Mass: 634.751 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C₂₈H₅₈O₁₅
#4: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Cl
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 389 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	N
Has protein modification	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: 3.1 Å³/Da / Density % sol: 60.37 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 8.5 / Details: 0.1 M Tris pH 8.5, 30% PEG6000

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: ROTATING ANODE / Type: RIGAKU MICROMAX-007 / Wavelength: 1.5418 Å
Detector	Type: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: Nov 27, 2019
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.5418 Å / Relative weight: 1
Reflection	Resolution: 2.46→30 Å / Num. obs: 55702 / % possible obs: 99.9 % / Redundancy: 7.6 % / B_iso Wilson estimate: 45.09 Å² / CC_1/2: 0.989 / R_merge(I) obs: 0.11 / R_pim(I) all: 0.042 / Net I/σ(I): 15
Reflection shell	Resolution: 2.46→2.49 Å / Redundancy: 5.4 % / R_merge(I) obs: 1.028 / Mean I/σ(I) obs: 1.01 / Num. unique obs: 2692 / CC_1/2: 0.669 / R_pim(I) all: 0.453 / % possible all: 97.8

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Processing

Software

Name	Version	Classification
PHENIX	1.20_4459	refinement
HKL-3000		data reduction
HKL-3000		data scaling
PHASER		phasing
PHENIX		model building
Coot		model building

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.46→29.69 Å / SU ML: 0.2488 / Cross valid method: FREE R-VALUE / σ(F): 0.08 / Phase error: 23.6441
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2424	1775	3.57 %	RANDOM
R_work	0.198	47878	-	-
obs	0.1997	49653	88.68 %	-

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso mean: 56.82 Å²

Refinement step

Cycle: LAST / Resolution: 2.46→29.69 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	7772	0	107	389	8268

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0038	7997
X-RAY DIFFRACTION	f_angle_d	0.7524	10761
X-RAY DIFFRACTION	f_chiral_restr	0.046	1201
X-RAY DIFFRACTION	f_plane_restr	0.0047	1393
X-RAY DIFFRACTION	f_dihedral_angle_d	16.896	3043

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 (%)
2.46-2.53	0.3291	115	0.2665	2978	X-RAY DIFFRACTION	72.5
2.53-2.6	0.2871	114	0.2343	3365	X-RAY DIFFRACTION	82.21
2.6-2.68	0.2717	142	0.2301	3431	X-RAY DIFFRACTION	83.81
2.68-2.78	0.2927	127	0.2267	3468	X-RAY DIFFRACTION	84.47
2.78-2.89	0.2853	136	0.2196	3533	X-RAY DIFFRACTION	86.27
2.89-3.02	0.3076	145	0.2341	3595	X-RAY DIFFRACTION	87.63
3.02-3.18	0.269	125	0.2106	3703	X-RAY DIFFRACTION	89.19
3.18-3.38	0.2195	132	0.1985	3795	X-RAY DIFFRACTION	92.18
3.38-3.64	0.2239	140	0.1876	3802	X-RAY DIFFRACTION	91.53
3.64-4.01	0.2249	139	0.1635	3842	X-RAY DIFFRACTION	92.56
4.01-4.59	0.2143	150	0.1607	4006	X-RAY DIFFRACTION	95.47
4.59-5.77	0.2257	151	0.1797	4096	X-RAY DIFFRACTION	96.7
5.77-29.69	0.2448	159	0.23	4264	X-RAY DIFFRACTION	97.29

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	5.72106638446	2.5353030963	-1.63755030463	8.73206370405	-2.69605090402	8.7116217986	0.0466971157124	-0.730034921954	0.420596798858	0.722008873281	-0.241040296909	-0.355388027313	-1.06661817564	0.68783556096	0.153072560621	0.438110434097	-0.0232445817859	-0.120251611845	0.357509174324	-0.0505265570998	0.396096735565	18.8880737159	36.9629824815	26.7596903722
2	2.01035575807	0.704904576447	-1.59328831518	4.0683619667	3.19326302052	5.86114037917	-0.0883931005197	-0.380337609419	-0.0543422572367	0.575460207581	-0.137252297145	-0.068144546382	-0.422341374245	0.374322588503	0.24676898557	0.444138811644	-0.0818363171452	0.0337971980613	0.372017979575	0.0505256440504	0.323200964897	12.6948563871	26.6458896373	31.6779245802
3	7.87011223898	-1.97523340165	3.05524698893	7.95093753474	-5.44822847645	4.18147197443	0.0430002187787	-0.872967814309	0.0756058971938	1.03142401735	-0.172625223481	0.107164960364	-0.666206514035	0.115315589513	0.14592386184	0.517994031482	0.0607682322841	-0.00388863284161	0.505568932927	-0.00784934635768	0.348375526796	9.86570806587	27.3195773668	37.1925608438
4	3.8040113351	0.42568490246	0.834531634501	6.26963520221	-2.85861077027	6.0431274415	-0.0411781390986	-0.169967876808	0.0214888470448	0.24257309767	-0.0557753854911	-0.411495998223	-0.39071296349	0.188268931324	0.103155300777	0.198878134459	0.00172532225587	-0.0114390568044	0.292009808239	-0.0341494459586	0.232667598637	13.1143045894	28.8367758928	20.7117533923
5	1.29453041652	-1.94036070063	2.67049925742	4.57965048979	-3.68897089423	6.54496965201	0.256354934077	0.014086750441	-0.405934524941	-0.103512998966	-0.113343637511	0.0525430448442	0.520222898463	0.121045338454	-0.151338066338	0.265928666833	0.0091869699581	-0.00576231937455	0.303266841092	0.0515294385543	0.366468705874	2.90157199946	25.18277189	12.6967074151
6	7.9425738994	-2.59848996673	-5.39639623073	2.50982948438	2.25551531695	3.87809994281	-0.15653258093	-0.812521110663	-0.12776183442	1.08062969149	0.24848222871	-0.341870131417	-0.122236963999	-0.637682040057	-0.287616576086	0.514707696082	0.0268263178373	-0.00233165967548	0.565890138506	0.0321894323641	0.448900875261	-5.18731219286	39.5300060638	14.0034188757
7	0.823457259242	-0.256585846245	-0.072681137321	4.47752920133	-2.75007085248	3.42022616386	-0.0854721644741	-0.153465774624	-0.213639626516	-0.12832702858	0.350431266083	0.267922549718	0.266227349755	-0.445546639203	-0.246924084742	0.31570239795	-0.0394033161738	-0.0592517278617	0.375563395911	0.0585156582318	0.382208356447	1.53215493273	20.5269635577	15.6414293995
8	2.66737204782	0.734509446583	0.853256942538	7.84636029288	1.01623637068	5.26296513582	-0.0928404421383	-0.477510692723	-0.208131229303	0.0518586180255	0.275011575445	0.569413570592	-0.273258764938	-0.596539887909	-0.091277483455	0.295441898541	-0.0386377146447	0.0805266196494	0.510714630252	0.190814642991	0.429510654342	-2.93444041139	17.5520822361	26.8930607661
9	7.24741415142	2.83751669472	0.193717222277	5.61051517013	-2.26984612909	9.34472331435	0.0576324322805	-0.45242774856	-1.37262213222	0.595825944202	-0.120811851455	0.132957256332	-0.418968053228	-0.370164614645	0.074777431516	0.499620113235	-0.0427674607583	-0.00915240470974	0.496925651954	0.106780261759	0.346012308323	3.16381742761	17.6154524738	36.5794131626
10	7.14365202916	-4.34115993689	-5.0229516261	7.9349903036	5.18212124455	4.65468727276	0.306280874723	0.262353601228	0.709441748533	-0.812869409263	0.169212103647	-0.634261719786	-0.325100556433	-0.0844100481394	-0.519724556909	0.449512747557	-0.0597628707032	-0.0284001731396	0.484742101654	0.0438375836533	0.380234687639	-4.2160926425	60.8150485431	-3.09115484876
11	3.13915931704	-1.38380098473	-0.9517594227	2.90709341856	-1.27650298283	1.71248879846	-0.158204596143	-0.245388137941	0.740823896672	0.0268709469285	-0.00796045785863	-0.223997976573	-0.529955822956	0.141691421661	0.177103112525	0.329016203245	0.0182288575158	0.0109287828775	0.292254644152	-0.0298802473065	0.378924484284	-10.0601929276	64.9035018815	7.65005770505
12	2.63357354356	-0.0686792334144	-1.56819738139	4.62586929376	1.80134986622	3.73148724268	-0.00978063810772	0.190515388266	0.176995205336	-0.270278244252	0.163822111254	-0.118429029343	-0.227322726937	-0.0897144239075	-0.12099622631	0.298192825077	-0.0100213721753	-0.0291267814458	0.324374646732	0.0869341469562	0.276710992332	-13.081134449	62.5994715482	2.1747843737
13	6.51773553821	-0.870949191142	-2.63517904156	5.09057359583	-3.34693227235	8.5605925671	0.229343002631	-0.427146315712	0.460883757425	0.105147459899	-0.0336815295034	-0.728389611196	-0.264315449279	1.04816032158	-0.163974527071	0.202312414197	0.0242189180953	0.0659228148166	0.464630462544	0.0387907220921	0.345022979607	-4.14899708751	55.0155634039	4.84465026481
14	8.24196410139	1.90037668429	2.55310596726	2.21155110924	2.81503146935	7.46766463816	-0.320328682874	-0.678445365846	0.0673191108509	-0.112500976693	-0.00325890863786	-0.0774970441543	-0.127614315323	0.218279124167	0.29506871633	0.236490536157	0.00161658177665	-0.0120093135485	0.243287525486	-0.00274475381649	0.282311316486	-10.5320407251	54.8697266065	12.534264548
15	0.912799800369	2.02936572427	1.34473310618	6.21929050495	2.35133869577	3.48348709357	0.331486135976	-0.103621603378	0.0185302968937	0.508711946721	-0.0982605370442	-0.237602567327	0.119513692292	0.159166742069	-0.246256832148	0.237865266506	-0.0120999787295	-3.81039662601E-5	0.33595622897	-0.0240938912346	0.33292510398	-17.1844323499	49.0365831115	12.215869341
16	9.35328889787	-3.98391251417	1.07636420363	2.03702270353	-0.275467369938	8.60247271215	0.157359309414	-0.0491090709816	0.0273711670329	0.288971906536	-0.173176156655	-0.0907341643919	-0.750659435668	0.103928633531	-0.0366025993172	0.311674842334	-0.0297692222204	0.00146233059852	0.290924664036	-0.0331927998689	0.266323847607	-26.718066194	41.4454196593	-5.15541452
17	8.91037561822	2.48379875272	3.92226668266	1.75924812445	2.16132612109	7.02637565784	-0.036193697529	0.08713229349	-0.206117841868	0.283619220478	-0.156242828534	-0.314921920987	0.710327200372	0.147545219056	0.249711604327	0.32292610731	-0.00735474004254	0.097209448464	0.325737276962	0.101454875254	0.379288509037	-16.1563579127	40.6351808975	2.05107290391
18	3.5014914687	0.102376871829	-0.669261710849	5.48690389501	2.51224585531	2.57851787093	-0.103849029556	-0.266103802278	-0.183137578316	0.254073915528	-0.0546297306402	0.221377787268	0.351958059415	0.0166976108499	0.159562383152	0.341109998918	-0.0161232267158	0.0424241560884	0.378664896391	0.022826573851	0.215557545539	-21.1829871074	50.7718122342	18.2137806253
19	5.20740496417	-1.42644551298	-1.16134814815	8.95662537404	-1.35149661711	4.73819347653	-0.0142159496218	0.310161547898	-0.0838670981061	-0.229937480138	0.0658071230031	0.275243093316	-0.217319863112	-0.09505610838	-0.0582216481205	0.217972679903	0.00295541738305	0.0414441257462	0.419130743966	-0.100635842651	0.269745030007	-24.9761086355	58.6431933988	17.8123340281
20	8.24848064655	2.92715048734	0.553688922906	7.04884804829	1.75684516945	7.06917383851	0.0881422106916	-0.552555141449	-0.215446777733	0.175653966218	-0.0414942710692	0.470472682565	-0.344378353042	-0.0302371481893	0.156623653608	0.453900047398	0.0363401928762	0.0871492934295	0.263515825706	-0.0760140408504	0.328955622913	-19.3464791155	68.5976194135	17.5236028466
21	3.27659173481	2.30018267893	-3.06066169733	1.73776168055	-1.9530603507	5.74980415255	0.334952720457	-0.598795834976	0.372709725054	0.380748375795	-0.12797702472	0.0132669108408	-0.429422950545	0.270765211631	-0.185246517969	0.36178398064	-0.0612386196096	0.0161857796187	0.571523747477	-0.141344326297	0.470300077794	-35.2844459692	72.1952852211	46.0009118086
22	5.95398122326	-2.25808487745	0.964116791366	8.87296462086	1.79199599878	2.36354186893	0.169986130887	-0.504153678265	0.198673349926	0.35104706917	-0.566179540312	-0.0339788518823	0.131043101995	-0.31435420793	0.354351343131	0.282771120232	-0.0814706304857	0.0507729587592	0.611262551111	-0.134758202784	0.379494543649	-43.4564499883	65.4583908462	47.4542818945
23	2.5885286497	2.6640104875	-0.749384365653	8.53958745604	-3.60076154098	6.25403995104	-0.043352799359	-0.00297365836868	-0.398633177221	-0.0760406499972	0.00197162498783	0.241454594587	0.475531520678	-0.454501666562	0.00607303396705	0.304078494144	-0.0550067448893	0.0953094792617	0.482032950383	-0.14091047173	0.491209021315	-41.2287695451	55.792506972	37.7903058274
24	8.33144313771	-6.14295944151	5.12109139277	9.45793603248	-5.50237265681	4.34603956628	-0.365994310088	-0.232592029431	-0.358425883161	0.954781799402	0.0919783936626	-0.271497225029	-0.305464983189	-0.186849013742	0.192704773748	0.582235535264	-0.116547594716	0.123038268144	0.674839814898	-0.0729173443648	0.586751881362	-41.7698353981	47.5359941315	48.8942538946
25	0.0447956397995	-0.376902476286	-0.736113329028	7.84871699335	1.76496639157	4.28493579639	-0.035609879036	0.686571209225	-0.6035794294	-0.826798357972	-0.379492142317	1.38298205828	0.460862289593	-1.21925560051	0.304597490197	0.443656426073	-0.104277641605	-0.0860471714759	0.705208265969	-0.186165979548	0.810481563133	-45.8155211006	58.9876706264	28.309098051
26	4.10276047399	-1.81305185084	-0.77291632269	9.24314957323	-3.50746470071	4.51849163217	-0.0907000248268	-0.141797815709	-0.288149492022	0.235956198112	-0.143829703328	0.169220002256	0.232001693617	-0.00119837967208	0.207175237006	0.343188445322	-0.0195572289109	0.0514497199533	0.458485320941	-0.0399385334889	0.297715564999	-31.8375518011	54.4427406645	29.6526050079
27	2.88172103778	0.929335574104	-0.504511459245	8.03634078249	-0.281854219229	7.1511712873	0.101281485499	-0.00955198742192	-0.100763746363	0.102471690717	-0.146340673091	-0.0854234601655	0.0177807364032	0.24921461833	0.0290667344573	0.164271661698	-0.00746925435209	0.0761591139964	0.325930384276	-0.0974470114544	0.28339250693	-26.8601499496	64.2869404895	30.1581631226
28	4.04500700096	-1.70279206007	0.382311204794	5.6402412738	-0.94887847748	2.50027025217	0.181719706122	0.482629821289	-0.810419087669	-0.22933326647	-0.414538993075	0.0602770596816	0.299463032151	0.228125505848	0.179141491177	0.520360254947	0.0970226379949	-0.0768850019434	0.676280917819	-0.279978056118	0.690140390369	14.2425468504	55.9449392633	24.5684893194
29	7.9739967254	0.0368023192042	4.08372692803	7.61091529677	-2.9103275788	3.35852266141	-0.0317852517302	-0.38771836478	-1.15600144494	0.0657894520764	0.136722214139	-0.712057614825	1.02613204107	-0.124196142442	-0.0362433779052	0.514546333343	0.0272948410892	-0.0117520945511	0.54963264903	-0.121055937871	0.751850119416	21.8678470695	49.2615069362	35.4223221512
30	9.68799073718	4.0796879386	0.00868247731807	5.43588902213	3.62604127686	3.8345074637	0.119506215482	1.17392755369	0.0414747817337	-0.374108282793	0.396559394294	-0.474985223929	-0.169014257525	1.59917274686	-0.529181598184	0.50063997658	0.0514382791199	0.0862057008094	0.61868574537	-0.129149148036	0.740796401915	24.395111504	60.1784047375	26.1156866795
31	4.16249946972	-0.969582986519	3.05910489858	4.15211401146	-1.01502469716	4.94641149405	-0.12059060265	-0.401159977253	-0.105602934322	0.114857925059	-0.184623435126	0.00320404077876	0.122502635556	-0.0944970713136	0.29374489064	0.359015947476	0.0304317371795	0.0256389815915	0.593681432249	-0.109248630111	0.571082797807	21.6823279778	64.1281602633	40.8048979127
32	6.72997418965	4.33331546502	-3.57979063602	4.12326207689	-5.58576772338	9.68563817309	-0.033540626526	-0.0148224356788	-0.914234739069	0.424264736467	-0.180022166881	0.138517906195	0.0994824844466	-0.53702330621	0.16956788499	0.519919207358	-0.0376114720655	0.0580340856339	0.701673349415	-0.0841945507104	0.796025015393	25.3019179755	54.0128762945	48.1303327459
33	0.844875067196	-1.56958951457	0.496186319959	2.85435399634	-0.187924850593	6.88861033164	-0.0181395761015	0.148509716224	-0.0829480166599	0.580665055842	0.121483857916	-0.547825083365	-0.296546205393	0.603557112337	-0.0627673826415	0.431749114032	0.00130139521821	-0.109830906942	0.572462759743	-0.190411247198	0.579547115716	15.2068646329	71.3586965979	40.598427194
34	6.44053300942	-3.45430157575	1.92083971826	2.10508105925	-0.0251080148816	9.5324056019	0.0703377684792	-0.240126553739	0.485714531678	0.110969875742	0.117577615844	-0.772265386033	-0.127147341457	1.01127301094	-0.156016107779	0.405623159138	0.0829675096656	-0.0316593979221	0.579105111535	-0.246857119256	0.636453827074	13.3746657104	76.1566627795	41.3719536177
35	2.32582577204	-1.87870333017	-1.80702694595	3.17948926895	-1.00281743417	7.27323049376	0.191234396965	0.0377482297311	-0.160928700086	0.0331175051173	-0.0451365190985	-0.210857487115	0.0508708399833	0.723082426896	-0.117086677818	0.355665250746	0.0386066637637	-0.12994487123	0.633510663084	-0.245727405048	0.657741009031	3.14789743346	67.828506402	33.6245020189

Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

ID	Refine TLS-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	chain 'A' and (resid 7 through 29 )	A	A	7 - 29	1 - 23
2	2	chain 'A' and (resid 30 through 59 )	A	A	30 - 59	24 - 45
3	3	chain 'A' and (resid 60 through 79 )	A	A	60 - 79	46 - 65
4	4	chain 'A' and (resid 80 through 133 )	A	A	80 - 133	66 - 119
5	5	chain 'A' and (resid 134 through 179 )	A	A	134 - 179	120 - 157
6	6	chain 'A' and (resid 180 through 193 )	A	A	180 - 193	158 - 171
7	7	chain 'A' and (resid 194 through 242 )	A	A	194 - 242	172 - 220
8	8	chain 'A' and (resid 243 through 262 )	A	A	243 - 262	221 - 240
9	9	chain 'A' and (resid 263 through 280 )	A	A	263 - 280	241 - 258
10	10	chain 'B' and (resid 7 through 29 )	B	H	7 - 29	1 - 23
11	11	chain 'B' and (resid 30 through 59 )	B	H	30 - 59	24 - 45
12	12	chain 'B' and (resid 60 through 95 )	B	H	60 - 95	46 - 81
13	13	chain 'B' and (resid 96 through 113 )	B	H	96 - 113	82 - 99
14	14	chain 'B' and (resid 114 through 133 )	B	H	114 - 133	100 - 119
15	15	chain 'B' and (resid 134 through 170 )	B	H	134 - 170	120 - 146
16	16	chain 'B' and (resid 171 through 193 )	B	H	171 - 193	147 - 169
17	17	chain 'B' and (resid 194 through 207 )	B	H	194 - 207	170 - 183
18	18	chain 'B' and (resid 208 through 242 )	B	H	208 - 242	184 - 218
19	19	chain 'B' and (resid 243 through 262 )	B	H	243 - 262	219 - 238
20	20	chain 'B' and (resid 263 through 280 )	B	H	263 - 280	239 - 256
21	21	chain 'C' and (resid 7 through 79 )	C	L	7 - 79	1 - 61
22	22	chain 'C' and (resid 80 through 114 )	C	L	80 - 114	62 - 96
23	23	chain 'C' and (resid 115 through 179 )	C	L	115 - 179	97 - 151
24	24	chain 'C' and (resid 180 through 206 )	C	L	180 - 206	152 - 174
25	25	chain 'C' and (resid 207 through 218 )	C	L	207 - 218	175 - 186
26	26	chain 'C' and (resid 219 through 242 )	C	L	219 - 242	187 - 210
27	27	chain 'C' and (resid 243 through 280 )	C	L	243 - 280	211 - 248
28	28	chain 'D' and (resid 6 through 79 )	D	N	6 - 79	1 - 62
29	29	chain 'D' and (resid 80 through 95 )	D	N	80 - 95	63 - 78
30	30	chain 'D' and (resid 96 through 114 )	D	N	96 - 114	79 - 97
31	31	chain 'D' and (resid 115 through 179 )	D	N	115 - 179	98 - 152
32	32	chain 'D' and (resid 180 through 207 )	D	N	180 - 207	153 - 174
33	33	chain 'D' and (resid 208 through 232 )	D	N	208 - 232	175 - 199
34	34	chain 'D' and (resid 233 through 253 )	D	N	233 - 253	200 - 220
35	35	chain 'D' and (resid 254 through 280 )	D	N	254 - 280	221 - 247

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