PDB-6ude: Crystal structure of Glycerol kinase from Elizabethkingia anophel...

ID or keywords:

Entry

Database: PDB / ID: 6ude

Title

Crystal structure of Glycerol kinase from Elizabethkingia anophelis NUHP1 in complex with ADP and glycerol

Components

Glycerol kinase

Keywords

TRANSFERASE / SSGCID /

Structural Genomics /

Elizabethkingia anophelis /

glycerol /

adenosine diphosphate /

ADP / Seattle Structural Genomics Center for Infectious Disease

Function / homology

Function and homology information

glycerol kinase /

glycerol kinase activity / glycerol-3-phosphate metabolic process / glycerol catabolic process /

Biological species

Elizabethkingia anophelis NUHP1 (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.95 Å

Authors

Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Citation

Journal: TO BE PUBLISHED
Title: Crystal structure of Glycerol kinase from Elizabethkingia anophelis NUHP1 in complex with ADP and glycerol
Authors: Phan, J.N. / Abendroth, J. / Dranow, D.M. / Lorimer, D.D. / Horanyi, P.S. / Edwards, T.E.

History

Deposition	Sep 19, 2019	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Oct 16, 2019	Provider: repository / Type: Initial release
Revision 1.1	Oct 11, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_conn Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	6ude.cif.gz	952.9 KB	Display	PDBx/mmCIF format
PDB format	pdb6ude.ent.gz	652.3 KB	Display	PDB format
PDBx/mmJSON format	6ude.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/ud/6ude ftp://data.pdbj.org/pub/pdb/validation_reports/ud/6ude	HTTPS FTP

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Related structure data

Related structure data	3ezwS S: Starting model for refinement
Similar structure data	1glf-d 3g25-d 1bo5-2 3ge1-d 6wev-d 4bz6-d 1aso-2 6wet-d Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search
Other databases	TargetTrack: ElanA.00232.a

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: Glycerol kinase

B: Glycerol kinase

C: Glycerol kinase

D: Glycerol kinase

hetero molecules

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

1

Idetical with deposited unit
defined by author&software
Evidence: gel filtration

Unit cell

Length a, b, c (Å)	57.730, 185.930, 103.460
Angle α, β, γ (deg.)	90.000, 105.776, 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

#1: Protein	Glycerol kinase / / ATP:glycerol 3-phosphotransferase / Glycerokinase / GK Mass: 56302.590 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Elizabethkingia anophelis NUHP1 (bacteria) Gene: glpK, BD94_2504 / Plasmid: ElanA.00232.a.B1 Production host: Escherichia coli 'BL21-Gold(DE3)pLysS AG' (bacteria) Strain (production host): BL21(DE3) / References: UniProt: A0A077EJ65, glycerol kinase
#2: Chemical	ChemComp-ADP / ADENOSINE-5'-DIPHOSPHATE / Adenosine diphosphate Mass: 427.201 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₁₀H₁₅N₅O₁₀P₂ / Feature type: SUBJECT OF INVESTIGATION / Comment: ADP, energy-carrying molecule*YM
#3: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol Mass: 92.094 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₃H₈O₃ / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Mg / Feature type: SUBJECT OF INVESTIGATION
#5: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 1151 / 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: 2.38 Å³/Da / Density % sol: 48.25 %
Crystal grow	Temperature: 290 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: Optimization screen around condition MCSG1-H10, well A4: 100mM HEPES / NaOH pH 7.48, 23.6% PEG 3350: ElanA.00232.a.B1.PW38276 at 20.5mg/ml, 3mM MgCl2 / ADP: additional overnight soak with ...Details: Optimization screen around condition MCSG1-H10, well A4: 100mM HEPES / NaOH pH 7.48, 23.6% PEG 3350: ElanA.00232.a.B1.PW38276 at 20.5mg/ml, 3mM MgCl2 / ADP: additional overnight soak with fresh 4mM MgCl2 / ADP: cryo: 20% EG in soak solution: tray 309736a4: puck pzi3-5.

Crystal

Density Matthews: 2.38 Å³/Da / Density % sol: 48.25 %

Crystal grow

Temperature: 290 K / Method: vapor diffusion, sitting drop / pH: 6.5
Details: Optimization screen around condition MCSG1-H10, well A4: 100mM HEPES / NaOH pH 7.48, 23.6% PEG 3350: ElanA.00232.a.B1.PW38276 at 20.5mg/ml, 3mM MgCl2 / ADP: additional overnight soak with ...

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Data collection

Diffraction

Mean temperature: 100 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 21-ID-F / Wavelength: 0.97872 Å

Detector

Type: RAYONIX MX-300 / Detector: CCD / Date: Aug 1, 2019

Radiation

Monochromator: C(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 0.97872 Å / Relative weight: 1

Reflection

Resolution: 1.95→50 Å / Num. obs: 151883 / % possible obs: 99.7 % / Redundancy: 3.733 % / B_iso Wilson estimate: 37.921 Å² / CC_1/2: 0.998 / R_merge(I) obs: 0.059 / R_rim(I) all: 0.069 / Χ²: 1.039 / Net I/σ(I): 14.13

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Mean I/σ(I) obs	Num. unique obs	CC_1/2	R_rim(I) all	% possible all
1.95-2	3.374	0.597	1.97	11246	0.667	0.713	99.8
2-2.06	3.792	0.493	2.66	10919	0.807	0.574	99.9
2.06-2.12	3.837	0.385	3.53	10649	0.867	0.447	99.9
2.12-2.18	3.833	0.301	4.56	10304	0.912	0.35	99.9
2.18-2.25	3.834	0.249	5.46	10050	0.946	0.29	99.9
2.25-2.33	3.831	0.195	6.93	9682	0.962	0.227	99.9
2.33-2.42	3.824	0.17	7.98	9379	0.969	0.198	99.8
2.42-2.52	3.818	0.143	9.36	8988	0.98	0.166	99.8
2.52-2.63	3.816	0.119	11.15	8659	0.984	0.139	99.9
2.63-2.76	3.788	0.092	14.08	8245	0.99	0.108	99.7
2.76-2.91	3.761	0.072	17.48	7837	0.993	0.084	99.9
2.91-3.08	3.729	0.061	20.74	7424	0.994	0.071	99.8
3.08-3.3	3.685	0.049	24.9	6963	0.996	0.058	99.7
3.3-3.56	3.635	0.041	28.78	6501	0.997	0.048	99.6
3.56-3.9	3.596	0.038	31.67	5966	0.997	0.044	99.4
3.9-4.36	3.59	0.033	34.12	5381	0.997	0.039	99.2
4.36-5.03	3.614	0.032	35.29	4760	0.998	0.037	99.4
5.03-6.17	3.68	0.029	35.62	4056	0.998	0.034	99.7
6.17-8.72	3.714	0.025	36.56	3158	0.999	0.03	99.6
8.72-50	3.6	0.023	37.74	1716	0.998	0.027	97.7

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Processing

Software

Name	Version	Classification
PHENIX		refinement
XDS		data reduction
XSCALE		data scaling
PDB_EXTRACT	3.25	data extraction
MoRDa		phasing
Coot		model building
PHENIX		model building

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: two domains from PDB entry 3ezw chain D as per MoRDa

3ezw

Resolution: 1.95→35.73 Å / SU ML: 0.2124 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 20.6951
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2053	2015	1.33 %	0
R_work	0.1648	149793	-	-
obs	0.1654	151808	99.81 %	-

Solvent computation

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

Displacement parameters

B_iso mean: 38.48 Å²

Refinement step

Cycle: LAST / Resolution: 1.95→35.73 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	15138	0	136	1151	16425

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0065	15647
X-RAY DIFFRACTION	f_angle_d	0.8026	21307
X-RAY DIFFRACTION	f_chiral_restr	0.0521	2438
X-RAY DIFFRACTION	f_plane_restr	0.0044	2748
X-RAY DIFFRACTION	f_dihedral_angle_d	12.3441	9197

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 (%)
1.95-2	0.31	122	0.2397	10723	X-RAY DIFFRACTION	99.82
2-2.05	0.2612	129	0.2154	10680	X-RAY DIFFRACTION	99.95
2.05-2.11	0.2523	155	0.1993	10669	X-RAY DIFFRACTION	99.97
2.11-2.18	0.2405	145	0.1847	10675	X-RAY DIFFRACTION	99.94
2.18-2.26	0.2262	132	0.1754	10732	X-RAY DIFFRACTION	99.92
2.26-2.35	0.1938	163	0.1637	10665	X-RAY DIFFRACTION	99.93
2.35-2.46	0.2313	129	0.1687	10700	X-RAY DIFFRACTION	99.89
2.46-2.59	0.2364	161	0.1686	10691	X-RAY DIFFRACTION	99.87
2.59-2.75	0.2074	128	0.1685	10750	X-RAY DIFFRACTION	99.86
2.75-2.96	0.2079	145	0.1656	10661	X-RAY DIFFRACTION	99.85
2.96-3.26	0.2234	163	0.1658	10682	X-RAY DIFFRACTION	99.72
3.26-3.73	0.2073	119	0.156	10706	X-RAY DIFFRACTION	99.65
3.73-4.7	0.1621	144	0.1433	10697	X-RAY DIFFRACTION	99.33
4.7-35.73	0.1895	180	0.1615	10762	X-RAY DIFFRACTION	99.64

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	1.42195907464	-0.458562494624	-0.54713602339	1.79497632367	0.141171869505	1.47707353462	0.0854061405781	-0.100208236504	0.040879400169	0.206363400653	-0.0355915637073	-0.0671816452973	-0.203281693964	-0.0535680393154	-0.0553437343345	0.284142088276	-0.0319336865941	-0.0186770504654	0.186267938039	-0.00423790383036	0.139630441153	4.00198494183	2.14787068979	8.41499852251
2	1.71233155008	-0.169223335676	-0.304332100707	2.34237819815	0.281448422099	1.73964953203	0.0372392319767	-0.434671956721	-0.137495155915	0.52992913138	-0.0371379445388	-0.197881166875	-0.0126246604383	0.103377645507	0.0065074191002	0.423676978315	-0.0426872064922	-0.0622020713973	0.303082783871	0.037593962014	0.177106683784	6.62570121969	-3.3678593048	20.0657498301
3	0.779928956729	-0.0282637230881	-0.434858993806	0.835859814549	0.112278418944	2.25654207641	0.0664716291717	-0.00107158458468	-0.0270689118844	0.211898345962	-0.0474177688621	0.135398345987	-0.155337462688	-0.47855854588	0.0158004052807	0.182929945452	0.0104501401571	0.0230313198817	0.276992910276	-0.00871769471226	0.20355521734	-8.91981388077	-3.42914994145	-0.678875326562
4	2.32688063966	1.23845262282	1.18216363436	2.23850336742	0.150516434621	0.735764087396	0.0115750566709	0.153509326154	-0.13681065651	0.306405291545	-0.304533491383	0.564162149935	-0.207208683447	-0.473545354428	0.341108867696	0.10491739996	0.102218724063	0.0783755549637	0.791255814466	-0.0151156360302	0.464271767528	-23.2325818375	2.65659854935	4.50714306978
5	5.37406794371	0.723946312418	-1.08278553271	4.30077879927	-0.0779885660704	2.92137595463	0.115341800989	0.119231738199	-0.271797954035	0.00492014553349	-0.0876969045998	0.370641449861	0.35212325137	-0.566091231544	-0.0541896494316	0.196999068412	-0.0267940896054	0.019141095206	0.220912895282	-0.0289453512042	0.17054178245	-3.35171326598	-16.5504227943	-14.2154262368
6	3.82675120528	-1.76141934527	2.24037134851	2.13085738102	-1.8324444443	2.83019753717	0.11791962584	-0.217816682779	-0.0311285344254	0.262025993354	-0.116774970654	-0.0329181846651	0.151502053328	0.117757524139	0.000836636165592	0.422088303909	-0.0184789028501	-0.0369049155635	0.257868003232	-0.0486135325548	0.303805951358	7.38295245908	30.5992617404	1.75228732452
7	1.2134939187	-0.114574971739	-0.0590053355093	2.29406230901	-0.345533909194	2.06709137205	0.0381811249668	-0.212048508746	0.111971210637	0.683156441769	-0.0323601179462	0.194821644195	-0.316262993557	-0.0631457503619	0.000321363722317	0.49324938899	-0.0354766810622	0.0255928499279	0.217322999369	-0.0801743960064	0.273003028722	-1.42836714769	43.5564854094	4.68567804416
8	1.62735585085	-0.873894349256	-0.142101277655	2.65823758905	0.175995694525	1.2074031606	-0.0596664560822	-0.396359860231	0.133366222016	0.781133047911	0.103376356837	0.0417588337162	-0.468969246861	0.0931644517646	0.0201866471723	0.820795724603	-0.0458366119149	-0.0103951538491	0.357975918924	-0.111927032228	0.362525727284	2.83617782967	49.8143345907	12.256434606
9	0.855184413965	0.28200744059	-0.556331909093	1.51490942972	-0.0114743632913	0.378010354197	-0.0308151165653	-0.138106496772	0.199521868314	0.462323765019	-0.0396745910127	-0.421470872162	-0.524505366445	0.547694372555	0.0278592915276	0.512559146686	-0.159284746965	-0.137300594347	0.389963453796	-0.0567324539244	0.442469744579	17.0685275336	48.3169223099	0.476089942291
10	2.51154641985	-0.157270407015	-0.101980132066	2.21434604973	0.814892718329	3.43347216148	0.0268403033611	0.0249119258501	-0.321193338963	0.324071508455	-0.0193050472668	-0.198725738483	0.370675453668	0.262344203013	-0.0259265458665	0.21950338454	0.0133911360137	-0.0117077040269	0.206034078611	-0.0148829144073	0.303063659095	7.92400652148	28.6192552243	-17.90582335
11	0.717551550719	0.0715377609499	0.296223573406	0.978818717975	-0.187686835311	1.83449658998	-0.00744340239775	0.0234635960776	0.143035018588	0.239212669114	-0.0855845068782	-0.332489619427	-0.16160508505	0.537820131334	0.0373978602024	0.222466909197	-0.0649061467194	-0.0458076624351	0.288428613159	-0.00972274586458	0.390768408062	15.9586053013	40.6645128242	-15.0588999352
12	0.177057295619	0.151992109323	-0.815238299739	1.03920569465	-0.857967595048	4.01877091573	-0.111459015763	-0.179127114593	0.122844980575	0.248137352579	-0.241436104003	-0.399469243035	-0.340322868912	1.08085585986	0.331265575951	0.385304239135	0.0183617083696	-0.205542765803	0.843361856278	-0.0171560837913	0.793455271458	28.5224079511	36.1377327424	-0.928569483167
13	3.7742056348	0.501041509512	0.930192526803	2.52287395777	-0.469112675436	3.5501594434	-0.130616198443	-0.0477398171291	0.468857246593	-0.0311536164164	-0.130059175459	-0.456199507666	-0.46957413389	0.611809068003	0.20294479052	0.246603085659	-0.0955582050098	-0.0348791030467	0.226999591696	0.0384975892159	0.393255573698	9.4538371468	48.0282893639	-26.1085400959
14	1.22447577361	0.321433699713	-0.515970563957	1.8762671684	-0.582871202667	2.31774708088	0.0269053800745	0.226341138204	-0.0209964356788	-0.285796433523	0.057536048976	0.0500899915093	0.258033767847	-0.281314225559	-0.0770519307269	0.320566568329	0.021592984967	-0.00596737561356	0.305633535815	-0.0542318453587	0.171757865957	2.15928879287	-10.1402678007	-51.0062225661
15	1.33571197557	0.636210637712	-0.330514751798	2.04933869762	-0.446149321251	2.1685561707	-0.0719399603142	0.242038780987	-0.109168693019	-0.597059612284	0.0552309668858	0.0479127223204	0.61566133227	-0.000609546988852	0.00596193946725	0.603277330872	0.0315828388326	-0.0286465839341	0.428899291639	-0.111496976741	0.260927245781	5.28879464129	-19.0098236192	-59.6197525321
16	0.871892403895	0.40942285469	0.0980152977561	1.0037694438	0.578154498416	1.28671012737	-0.115056343769	0.230676335635	-0.0925651061822	-0.370764840883	0.0607026525907	-0.339234943521	0.281736786976	0.636530662662	0.0217348999333	0.364629303508	0.124507997813	0.112772766088	0.44043097017	-0.0137612764523	0.239187886398	19.7787471438	-10.4590394002	-48.4996663612
17	0.789478786409	0.368634995334	-0.0226694759443	0.599252476074	0.6391381415	2.01779118451	-0.127649753616	0.162978483841	-0.291600288681	-0.096510069274	0.0465487717733	-0.329827546998	0.717601992949	0.577899331747	0.0322188887309	0.517077375314	0.162454723651	0.0971938475641	0.402142900513	-0.0695133119781	0.340217160922	18.8964746356	-20.9167041287	-47.5436092985
18	4.54897089656	1.9248976138	1.09421692531	3.26022676659	2.37024711423	5.65350687345	0.0517925361283	0.341114370501	0.417301692176	-0.198910588338	0.00704163337154	-0.144600208669	-0.488979532062	-0.0497130014169	-0.0539581082843	0.248517479686	0.0276770303539	0.0459150172877	0.191729534943	0.0235230445815	0.220288665268	8.52070624414	2.51175549547	-29.4537677114
19	0.645387273311	0.0456501589058	-0.207108294672	1.12477356832	0.448021694793	3.06915824699	0.0334004461767	0.0623156190866	-0.0356718814363	-0.000445273783735	0.0126444657606	-0.0314728677011	0.0442117265058	0.0818538529215	-0.059624107927	0.179653269828	0.0237120955183	-0.00193800623757	0.205599303078	-0.0141678945546	0.256865708014	8.56307253231	-10.6087430887	-23.297386066
20	0.463723489886	0.309451508633	-0.424541004575	0.968145959891	-0.247944822908	2.08343819378	0.0792754070207	0.100689069671	-0.0848679978557	-0.210669347889	-0.0109451751327	-0.318582345495	0.272675768381	0.394652547191	-0.0324409169945	0.232455575421	0.0733237217555	0.022205230346	0.323600364293	-0.0114548784238	0.28530545368	20.598156852	-10.5116288052	-31.6939259956
21	0.531387614392	0.138943955867	-0.208491133373	0.806638549704	0.115870294951	3.00195381487	0.0613329976513	0.0497311791991	-0.0373568229619	-0.220369323522	-0.124013688475	-0.235338966348	-0.0138532837842	0.557703741956	-0.0266323126465	0.25047728633	0.0265542328522	0.0921901511543	0.423053801216	-0.0393412334319	0.334603776826	23.2472001035	-4.49291971856	-42.0224953422
22	0.84121880317	-0.0308665137205	-0.414510590639	0.671668409683	-0.709304236619	4.78491877904	0.231373119209	0.245794226384	0.0701052127534	-0.249073696479	-0.113109947058	-0.322279837828	-0.180477852262	1.16434009094	-0.0618779015551	0.374419283691	-0.0341726361586	0.175643237685	0.74405353252	-0.0367681314333	0.556181614106	29.5243099736	-3.38386107608	-47.5098181061
23	3.3732112856	0.143859833378	-0.954641939807	1.81829676018	-0.782169492002	4.07798328928	0.00265805601728	-0.0236808545105	-0.223945342021	-0.0128703884666	-0.02550906279	-0.204445220398	0.261399388386	0.350927306587	-0.0387871959845	0.206857956487	0.0468321485086	0.00289417226547	0.213938459525	-0.0257063944575	0.220489461469	12.1842354024	-16.4351365641	-20.7934755544
24	1.42112720563	0.202967738784	0.650159000524	1.94159683524	0.421060637542	1.80105992022	-0.0287458474005	0.291328545017	0.133050689564	-0.383301744125	0.0372553647754	-0.0446001654062	-0.0258807982073	0.288444319746	-0.00295086592327	0.285271696099	-0.0272653153812	0.0469679766829	0.265576119304	0.0196954059276	0.198493818944	3.39496416843	30.9456467311	-59.8627177312
25	0.587763264502	0.134973243272	0.632412046856	0.808277370664	0.301129753897	2.75844701662	-0.0338832170677	0.0192438680418	0.0975265409497	-0.176229726772	-0.0384775172639	0.169889069022	0.0793392629391	-0.244741576713	0.0782882925563	0.205707695827	-0.0137917083013	-0.0304149412664	0.201263136933	-0.0195191296143	0.337160438694	-10.3075015081	33.39777196	-46.2878907166
26	2.19400448411	0.904538515611	0.722336553342	2.27045895584	1.92885473449	3.75842950409	-0.0108098639304	-0.284412889345	0.379039197936	-0.116358973433	-0.421328977202	0.630195143623	-0.0948668229436	-0.635328450488	0.407407311162	0.247205740498	0.037893222554	-0.0761727299269	0.192054281356	0.0364706844078	0.381257222559	-14.7968874242	36.3986787171	-42.6848429895

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 4 through 148 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 149 through 224 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 225 through 451 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 452 through 475 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 476 through 499 )
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 3 through 49 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 50 through 189 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 190 through 238 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 239 through 306 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 307 through 335 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 336 through 451 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 452 through 475 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 476 through 499 )
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 4 through 189 )
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 190 through 238 )
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 239 through 268 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 269 through 306 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 307 through 335 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 336 through 372 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 373 through 415 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 416 through 451 )
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 452 through 475 )
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 476 through 499 )
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 4 through 224 )
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 225 through 451 )
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 452 through 499 )

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