PDB-8bz8: Crystal structure of the L. monocytogenes RmlT D198A variant in c...

ID or keywords:

Entry

Database: PDB / ID: 8bz8

Title

Crystal structure of the L. monocytogenes RmlT D198A variant in complex with TDP-rhamnose

Components

Glycosyltransferase

Keywords

TRANSFERASE /

Glycosyltransferase

Function / homology

Glycosyltransferase 2-like / Glycosyl transferase family 2 /

glycosyltransferase activity / Nucleotide-diphospho-sugar transferases / D(-)-TARTARIC ACID / 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE /

Glycosyltransferase

Function and homology information

Biological species

Listeria monocytogenes (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.52 Å

Authors

Cereija, T.B. / Morais-Cabral, J.H.

Funding support

Portugal, 1items

Citation

Journal: To Be Published
Title: Crystal structure of the L. monocytogenes RmlT D198A variant in complex with TDP-rhamnose
Authors: Monteiro, R. / Cereija, T.B. / Morais-Cabral, J.H. / Cabanes, D.

History

Deposition	Dec 14, 2022	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Dec 27, 2023	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	8bz8.cif.gz	1.7 MB	Display	PDBx/mmCIF format
PDB format	pdb8bz8.ent.gz	1.2 MB	Display	PDB format
PDBx/mmJSON format	8bz8.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/bz/8bz8 ftp://data.pdbj.org/pub/pdb/validation_reports/bz/8bz8	HTTPS FTP

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Related structure data

Related structure data	8bz4S 8bz5 8bz6 8bz7 S: Starting model for refinement
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	#254 - Feb 2021 Cellulose Synthase similarity (3) #198 - Jun 2016 Beta-galactosidase similarity (1) #156 - Dec 2012 ABO Blood Type Glycosyltransferases similarity (1)

Deposited unit

A: Glycosyltransferase

B: Glycosyltransferase

C: Glycosyltransferase

D: Glycosyltransferase

E: Glycosyltransferase

F: Glycosyltransferase

hetero molecules

434 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Glycosyltransferase

B: Glycosyltransferase

hetero molecules

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

2

C: Glycosyltransferase

D: Glycosyltransferase

hetero molecules

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

3

E: Glycosyltransferase

F: Glycosyltransferase

hetero molecules

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

Unit cell

Length a, b, c (Å)	87.397, 292.381, 93.075
Angle α, β, γ (deg.)	90.000, 100.498, 90.000
Int Tables number	4
Space group name H-M	P12₁1
Space group name Hall	P2yb
Symmetry operation	#1: x,y,z #2: -x,y+1/2,-z

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Protein , 1 types, 6 molecules ABCDEF

#1: Protein	Glycosyltransferase / Mass: 71593.922 Da / Num. of mol.: 6 / Mutation: D198A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Listeria monocytogenes (bacteria) / Gene: APD94_03445 / Production host: Escherichia coli (E. coli) / References: UniProt: A0A401AAP7

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Non-polymers , 5 types, 695 molecules

#2: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 9 / Source method: obtained synthetically / Formula: Mg
#3: Chemical	ChemComp-TRH / 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE Mass: 548.330 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₁₆H₂₆N₂O₁₅P₂ / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical	ChemComp-CL / CHLORIDE ION / Chloride Mass: 35.453 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Cl
#5: Chemical	ChemComp-TAR / D(-)-TARTARIC ACID / Tartaric acid Mass: 150.087 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C₄H₆O₆
#6: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 673 / Source method: isolated from a natural source / Formula: H₂O

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Details

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: 2.73 Å³/Da / Density % sol: 54.94 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop Details: 0.1 M Bis-Tris propane pH 7.0 0.2 M Potassium sodium tartrate tetrahydrate 22.5% (w/v) PEG 3,350

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: SOLEIL / Beamline: PROXIMA 2 / Wavelength: 0.979415 Å
Detector	Type: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Apr 16, 2021
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.979415 Å / Relative weight: 1
Reflection	Resolution: 2.52→49.28 Å / Num. obs: 154021 / % possible obs: 100 % / Redundancy: 7.1 % / B_iso Wilson estimate: 54.03 Å² / CC_1/2: 0.998 / R_merge(I) obs: 0.113 / R_pim(I) all: 0.046 / R_rim(I) all: 0.122 / R_sym value: 0.113 / Net I/σ(I): 12.9
Reflection shell	Resolution: 2.52→2.56 Å / Redundancy: 7.1 % / R_merge(I) obs: 1.394 / Mean I/σ(I) obs: 1.6 / Num. unique obs: 7618 / CC_1/2: 0.568 / R_pim(I) all: 0.558 / R_rim(I) all: 1.503 / R_sym value: 1.394 / % possible all: 100

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Processing

Software

Name	Version	Classification
PHENIX	1.19.2_4158	refinement
XDS		data scaling
PHASER		phasing
XDS		data reduction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 8BZ4

8bz4

Resolution: 2.52→45.76 Å / SU ML: 0.3571 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 25.13
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.228	7584	4.93 %
R_work	0.1907	146342	-
obs	0.1926	153926	99.97 %

Solvent computation

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

Displacement parameters

B_iso mean: 63.35 Å²

Refinement step

Cycle: LAST / Resolution: 2.52→45.76 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	29239	0	271	673	30183

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0023	30162
X-RAY DIFFRACTION	f_angle_d	0.4696	40787
X-RAY DIFFRACTION	f_chiral_restr	0.0432	4472
X-RAY DIFFRACTION	f_plane_restr	0.0031	5216
X-RAY DIFFRACTION	f_dihedral_angle_d	12.4838	11376

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 (%)
2.52-2.55	0.3251	264	0.3154	4799	X-RAY DIFFRACTION	100
2.55-2.58	0.3276	248	0.2991	4930	X-RAY DIFFRACTION	100
2.58-2.61	0.3317	256	0.2997	4811	X-RAY DIFFRACTION	100
2.61-2.64	0.3111	267	0.2874	4890	X-RAY DIFFRACTION	100
2.64-2.68	0.3329	266	0.2748	4858	X-RAY DIFFRACTION	100
2.68-2.71	0.3029	237	0.2655	4868	X-RAY DIFFRACTION	100
2.71-2.75	0.308	273	0.2628	4860	X-RAY DIFFRACTION	99.98
2.75-2.79	0.3035	240	0.2543	4870	X-RAY DIFFRACTION	100
2.79-2.84	0.2844	248	0.2667	4915	X-RAY DIFFRACTION	99.96
2.84-2.88	0.3276	257	0.2744	4858	X-RAY DIFFRACTION	100
2.88-2.93	0.36	253	0.2781	4869	X-RAY DIFFRACTION	100
2.93-2.99	0.3121	231	0.2724	4893	X-RAY DIFFRACTION	100
2.99-3.05	0.3227	246	0.2522	4868	X-RAY DIFFRACTION	99.98
3.05-3.11	0.259	260	0.2341	4893	X-RAY DIFFRACTION	99.96
3.11-3.17	0.2808	267	0.224	4829	X-RAY DIFFRACTION	99.98
3.17-3.25	0.2549	253	0.2142	4886	X-RAY DIFFRACTION	100
3.25-3.33	0.2584	227	0.2134	4917	X-RAY DIFFRACTION	99.98
3.33-3.42	0.2524	271	0.2112	4843	X-RAY DIFFRACTION	100
3.42-3.52	0.238	227	0.2122	4896	X-RAY DIFFRACTION	100
3.52-3.63	0.2261	263	0.1993	4890	X-RAY DIFFRACTION	100
3.63-3.76	0.2268	273	0.1776	4849	X-RAY DIFFRACTION	100
3.76-3.91	0.225	238	0.1721	4880	X-RAY DIFFRACTION	100
3.91-4.09	0.2163	217	0.164	4923	X-RAY DIFFRACTION	100
4.09-4.31	0.1891	261	0.1545	4876	X-RAY DIFFRACTION	99.98
4.31-4.58	0.16	245	0.1341	4900	X-RAY DIFFRACTION	99.98
4.58-4.93	0.1495	250	0.1314	4903	X-RAY DIFFRACTION	100
4.93-5.43	0.1782	271	0.1439	4849	X-RAY DIFFRACTION	99.98
5.43-6.21	0.1912	248	0.1628	4926	X-RAY DIFFRACTION	99.96
6.21-7.82	0.2088	283	0.1754	4868	X-RAY DIFFRACTION	100
7.82-45.76	0.188	244	0.1587	4925	X-RAY DIFFRACTION	99.4

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	3.05721359967	0.319285657087	-0.0486863510752	2.43211220383	0.210539726172	2.63272889289	0.0634730723483	-0.17012763021	0.156125797341	-0.0816360967358	-0.109127186844	0.737565339444	0.19085869133	-1.01250007274	0.020444119893	0.333761060511	-0.0255278411236	-0.0778441790691	0.780739560819	-0.13115901427	0.714451311051	4.5842288089	-3.40297143663	4.0745209105
2	3.26452830685	0.503596014123	1.00527487469	4.28492390182	1.05337218561	1.42213037368	0.120066244533	0.0907518318807	-0.314490504236	-0.203071449285	-0.215278515785	0.482499240904	0.212007050685	-0.483205457223	0.0878650542242	0.366656803023	-0.0890220054199	-0.00307781004001	0.536085666191	-0.0861562529302	0.399413792353	17.2418340884	-13.5600752757	-3.40854515574
3	1.39776585787	0.269843967624	0.404540703356	2.6881844486	0.733216856135	1.30865938158	0.172514541267	0.21456967736	-0.26760690319	-0.182469251594	-0.0687286713583	-0.0973442119711	0.286789581588	0.0380635235769	-0.107140059847	0.336204098494	0.0248781483701	0.0149643931003	0.413000888809	-0.0274413040048	0.277549748204	40.0331600329	-9.98886154589	2.08393236914
4	1.91118889997	-0.524051299534	-0.00724474162998	3.5073619645	1.41185468555	5.16820595978	0.122792184692	-0.363381447219	0.267993731514	-0.0259226720658	-0.0819475217877	0.0473301002138	-0.33774387676	-0.193545121906	-0.0595129646614	0.265790338183	0.000553018335635	0.0606392081879	0.353524895662	-0.0439152642908	0.50652502831	32.8895304125	31.5576920136	23.4693727288
5	1.88414439831	-0.634633126538	0.432671107995	2.57461333269	0.903453962762	0.918078999518	0.0444248716249	-0.768609090167	-0.197418423657	1.06276790085	-0.0962096313041	0.249939457194	1.00637733393	-0.489636193761	0.00648196349657	1.41232243451	-0.265035287104	-0.168893340368	0.851850564962	0.306084955211	0.646478164319	58.8846967579	-11.8329888107	63.1315825685
6	1.4718323291	0.440562320288	0.786300221629	2.95936329094	0.199928123522	3.10079198397	0.41273442189	-0.511757974767	-0.355125159258	0.839287894691	-0.0909614569278	-0.508089711402	0.622278536247	-0.0616576989269	-0.256734828477	0.638969270127	-0.074660679339	-0.172968247224	0.521753159006	0.0787014535819	0.482127908408	69.3010273707	-2.96512121318	49.4565991938
7	1.55360252453	0.803734106074	0.998898918717	2.09126828821	1.16176535485	2.4325814248	0.148617504205	0.0938681186734	-0.156153489585	0.0845201215842	-0.0227457668413	-0.172751875582	0.191575641165	0.0967733540937	-0.0907358723338	0.220662760527	0.0293913721984	0.0298910745643	0.382268581601	0.00516425153122	0.321081186442	62.8429147062	0.32777764388	25.2953925843
8	1.32351341267	1.68371894214	0.453729442621	4.99801724568	0.288044266068	0.758225922225	-0.0140116122975	-0.228929705791	-0.615512003706	0.326873738753	-0.101101395157	0.041012925759	1.0218942913	-0.402604052237	0.188753814262	1.47570870659	-0.201589121276	-0.169857124311	0.592376547982	0.00603040997492	1.02411740101	47.9945391018	-44.2280721946	26.0909566709
9	3.43253737037	1.34901573475	0.435281313939	5.35731600274	-1.17677413769	2.63052831687	-0.215907733499	0.790316917498	0.290078957032	-0.937514574882	0.107660134354	-0.0496145050079	0.365267266884	0.418735637774	0.11460583758	0.706551035319	0.0767742751115	-0.0181035650782	0.76680991812	0.10719052485	0.40371365127	15.6071260625	53.0189334872	9.51609732436
10	1.80526748547	-0.54438391787	0.836189524663	3.73254105055	-0.720885243863	2.65457319438	0.173052704137	0.365205370098	0.311497840173	-0.572740524993	-0.0687598505532	0.814477755571	0.0568795238349	-0.12494414295	-0.0911701599701	0.344707876059	0.0306175146209	-0.0887776278188	0.480518284074	0.0614518304867	0.645086821173	1.97298347563	55.5190819988	22.5895771036
11	0.382723754802	0.29705820161	0.956726411849	2.76174005651	1.40419806439	3.43197508084	-0.197262409988	0.111309815005	0.317734570727	-0.149168332178	-0.11710017962	-0.0444913845215	-0.321618022486	0.323946588737	0.327778934378	0.349674769493	-0.0540820561005	0.0126890261284	0.465315560254	0.129896977024	0.718835953311	11.0213443894	65.6950842358	35.9451839733
12	0.627337174468	-0.196161336748	0.164513430884	2.01403222366	0.29635814097	0.789727385051	-0.0763772858815	-0.0705162758571	0.185594197048	0.16888207296	-0.0892340500355	0.208045824632	-0.0841074529033	-0.0842143414794	0.168460158673	0.233860160976	0.00349814869435	0.0440661673563	0.387925439043	-0.0403987472451	0.449407767318	7.07729141089	47.5788500711	49.1262519703
13	5.0676748667	-2.16449295953	-0.676585203547	4.12517441448	1.36058780447	3.5102718411	-0.131239669499	-0.00793078094467	-0.292888316748	0.0127361548831	-0.00707299822038	0.0669678606597	0.261748937559	0.211249000311	0.154850637976	0.32116264622	-0.0402341356217	0.0560150331417	0.299897032485	0.00242992408561	0.304001075307	17.1246516325	7.19027579124	30.9296896225
14	4.22333975844	-1.76917387423	-0.469524372496	4.07806701567	0.958697377141	1.71943979409	0.0461437560287	-0.110886282483	0.425911818508	0.266667235221	0.0295193556217	-0.756155229118	0.117413839743	0.56148564793	-0.1097114347	0.375558206256	0.00104208931874	-0.0932557010641	0.617900355898	0.0757976104531	0.474134339722	59.2554853099	29.0795405489	74.3636895477
15	1.76083151056	-0.648746575583	0.59510953019	2.21810978744	-0.384290457892	0.811458618365	0.135126390064	0.00425672868748	-0.386014453425	0.0979816649751	-0.0579907881388	0.0608987430041	0.292620384499	0.176970504907	-0.108313186433	0.460256860743	0.0379114865534	0.0661880607548	0.457287716519	0.0517065663363	0.324838986722	36.1505436343	17.1860296065	69.7977708855
16	1.87682548327	1.2344798429	0.0815618509921	2.89835334332	-0.0909237196581	0.727155604997	0.0700465262446	-0.146769076714	0.113278219301	0.270495401818	-0.0656094451247	0.145709584599	-0.0103623754998	-0.053548752272	-0.00775297817983	0.311944593294	0.0153289069705	0.0716976241874	0.400286491109	-0.0285462464715	0.303464150791	27.8086490457	49.3099382337	68.552674698
17	2.93891289291	0.458620380103	0.46036851654	2.89086959321	-1.01335933418	3.52654036864	0.0548496203661	0.700312442342	0.207227797104	-0.916860159359	-0.274329704914	-0.276773404646	0.00934745912062	0.204297120469	0.156726628079	0.989347364202	0.183885035262	0.097795860289	0.732601633726	0.0680692359575	0.406605432495	14.2386918557	-60.807816535	3.1728673945
18	2.47421513839	-0.93042964313	0.475729431394	2.51988117824	-0.33589832097	4.2054305909	0.249988368678	0.568116179269	0.260638299864	-0.691149528418	-0.282037499545	0.296985876019	-0.490630420072	-0.39132248168	0.0439094324292	0.709304730381	0.162177023772	-0.110452800657	0.509527120232	0.0132522606576	0.457794042289	-0.204536063243	-54.9227159012	12.8228423039
19	1.29839396029	-0.665582199835	0.363366024553	1.72123233094	0.275255040383	1.94991548938	0.0105849312153	0.286310969978	0.556065231912	-0.57056291771	-0.272693788829	0.00171579572396	-0.983220819282	0.0198919870341	0.258708943834	0.894444420611	0.118319259272	-0.123294937056	0.477085313698	0.0542054253859	0.65088588009	1.60682796811	-37.6488534627	29.186796155
20	1.33111376247	-0.734569303596	-0.137064746821	2.92817725952	0.571450890163	1.57058331868	-0.0206101062398	0.019594105917	0.162728418284	-0.0940505678597	-0.0864238533059	0.237176353249	-0.233805371279	-0.187309018615	0.106477170303	0.356672483296	0.0443282305751	-0.0405527186769	0.390627333273	-0.0633845585912	0.427392730809	0.0740084556235	-59.0677743985	41.2862784524
21	5.63883257982	-1.90535192403	0.189290946518	5.15190992985	0.555490299877	2.10897135494	-0.19428475616	-0.159768728016	-0.302270050406	0.0192259213279	0.0351642860451	0.0546207532417	0.18606420537	0.279259605898	0.132605536513	0.433459504237	0.0192418957131	0.0890090630162	0.389100099887	-0.00187472077813	0.323115598233	17.9873322637	-95.1638208865	39.5943217513
22	1.31424714116	0.476949004808	1.59406450627	2.48871718012	-0.143426970874	2.13801183292	-0.283614034749	0.276911781312	1.03911884423	0.242313205572	-0.154286571973	-1.42479643474	-0.35964961722	0.674835118697	0.307711090701	0.597879553298	-0.152447029496	-0.290460472866	0.944665801595	-0.0123223712282	1.62314063707	54.0045876365	-52.4330474175	72.5900984886
23	2.85357296878	0.315112948225	1.57932665767	1.28486701718	-0.575070581762	1.93793946807	-0.396508777939	-0.467727151763	0.519438840934	0.732690148061	0.207992014105	-0.835318029415	-0.51676645224	0.212338072981	0.134792429699	0.692698336871	0.0683926329827	-0.283010295714	0.566456770989	-0.204739011916	0.846990909818	35.6118519289	-53.0804613643	80.0283217776
24	4.14514642777	-0.258538274713	1.31417411154	3.56925185113	-1.18702545948	3.45747563804	-0.221460098359	-0.605397053485	-0.164985729026	0.71987355902	0.255106662508	-0.769204470264	-0.23540238933	0.208646525067	-0.0498441581703	0.586980882671	0.00362215933614	-0.273103559511	0.585794969906	-0.12872440144	0.73825688853	40.8077481643	-62.3176100259	83.2302886719
25	2.66483544131	0.677898453889	1.50389972336	2.43506917076	-0.198069984801	2.1517222392	0.431504523668	0.113716276944	-0.661307091173	0.14176040237	-0.00564979815628	-0.387702615967	0.53858568161	0.222416271953	-0.422271756452	0.526530793452	0.0762150962107	-0.232680289792	0.450455404832	-0.0954399803987	0.807504543184	31.0217135023	-75.1300634728	70.8779196999
26	2.37850298455	-1.10886252027	1.1175133867	4.81018709514	-1.25061473693	2.51890226946	0.135080853779	-0.283864671515	-0.52982772134	0.173474068003	0.121465938154	-0.154591194609	0.294941953711	-0.235364312012	-0.281778116525	0.388310205352	-0.087201497648	-0.083737564501	0.439077504246	-0.0399836476411	0.450602655049	15.0940121825	-70.6757633914	67.0000764099
27	2.12279113364	0.665354900418	0.520764784475	2.81786492099	-0.271611705775	1.79588146211	0.0728125231363	-0.208542417387	-0.0446067021543	0.151442098561	-0.0804337900022	-0.239752120252	-0.185728386939	-0.168188411432	0.0164110817473	0.380092168467	0.0336335542825	-0.00264349926448	0.415359413673	-0.109406401456	0.383596374889	12.9081684525	-53.2683780736	64.5258391015
28	1.55622379588	0.326743410858	-0.41626393924	1.99812585451	-1.49486750853	2.95971087976	0.0314837281248	0.106995253566	0.552241709709	-0.391587321848	-0.130751495532	-0.31578366914	-0.691632113102	0.0993896944839	0.051855485594	1.19168336586	-0.0453736269373	0.00591972273089	0.456776537578	-0.0219349111575	0.959006393757	20.960162876	-18.3299699641	53.1551716022
29	1.34218562231	0.343148449316	0.884464186386	2.34778245496	-1.14669927268	3.40591825251	0.00983982597797	0.53892347098	0.356007092524	-0.206566804663	-0.354883142171	-0.48676279583	-1.05556953819	0.441769925808	0.330841662152	1.18829022231	-0.110296325899	0.0853010994774	0.602182716195	0.0848642174027	1.06474728705	27.5176146482	-16.9460572009	47.9198227273

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 18 through 141 )	A	A	18 - 141	1 - 124
2	2	chain 'A' and (resid 142 through 255 )	A	A	142 - 255	125 - 235
3	3	chain 'A' and (resid 256 through 523 )	A	A	256 - 523	236 - 503
4	4	chain 'A' and (resid 524 through 623 )	A	A	524 - 623	504 - 603
5	5	chain 'B' and (resid 18 through 100 )	B	B	18 - 100	1 - 83
6	6	chain 'B' and (resid 101 through 255 )	B	B	101 - 255	84 - 233
7	7	chain 'B' and (resid 256 through 517 )	B	B	256 - 517	234 - 495
8	8	chain 'B' and (resid 518 through 623 )	B	B	518 - 623	496 - 601
9	9	chain 'C' and (resid 18 through 100 )	C	C	18 - 100	1 - 83
10	10	chain 'C' and (resid 101 through 219 )	C	C	101 - 219	84 - 202
11	11	chain 'C' and (resid 220 through 286 )	C	C	220 - 286	203 - 266
12	12	chain 'C' and (resid 287 through 523 )	C	C	287 - 523	267 - 503
13	13	chain 'C' and (resid 524 through 623 )	C	C	524 - 623	504 - 603
14	14	chain 'D' and (resid 18 through 141 )	D	D	18 - 141	1 - 124
15	15	chain 'D' and (resid 142 through 356 )	D	D	142 - 356	125 - 336
16	16	chain 'D' and (resid 357 through 623 )	D	D	357 - 623	337 - 603
17	17	chain 'E' and (resid 18 through 118 )	E	E	18 - 118	1 - 101
18	18	chain 'E' and (resid 119 through 237 )	E	E	119 - 237	102 - 213
19	19	chain 'E' and (resid 238 through 354 )	E	E	238 - 354	214 - 330
20	20	chain 'E' and (resid 355 through 523 )	E	E	355 - 523	331 - 499
21	21	chain 'E' and (resid 524 through 623 )	E	E	524 - 623	500 - 599
22	22	chain 'F' and (resid 18 through 99 )	F	F	18 - 99	1 - 82
23	23	chain 'F' and (resid 100 through 174 )	F	F	100 - 174	83 - 157
24	24	chain 'F' and (resid 175 through 219 )	F	F	175 - 219	158 - 202
25	25	chain 'F' and (resid 220 through 303 )	F	F	220 - 303	203 - 279
26	26	chain 'F' and (resid 304 through 354 )	F	F	304 - 354	280 - 330
27	27	chain 'F' and (resid 355 through 523 )	F	F	355 - 523	331 - 499
28	28	chain 'F' and (resid 524 through 567 )	F	F	524 - 567	500 - 543
29	29	chain 'F' and (resid 568 through 623 )	F	F	568 - 623	544 - 599

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