PDB-8vzf: Crystal Structure of 2-Hydroxyacyl-CoA Lyase/Synthase ApbHACS fro...

ID or keywords:

Entry

Database: PDB / ID: 8vzf

Title

Crystal Structure of 2-Hydroxyacyl-CoA Lyase/Synthase ApbHACS from Alphaproteobacteria bacterium in the Complex with THDP, Coenzyme A, and ADP

Components

2-Hydroxyacyl-CoA Lyase/Synthase

Keywords

LYASE / 2-Hydroxyacyl-CoA Lyase/Synthase / acyloin condensation / oxalyl-CoA decarboxylase / SBC / eBERlight

Function / homology

Function and homology information

oxalyl-CoA decarboxylase / oxalyl-CoA decarboxylase activity / fatty acid alpha-oxidation / thiamine pyrophosphate binding / nucleotide binding / magnesium ion binding
Similarity search - Function

Biological species

Alphaproteobacteria bacterium (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.36 Å

Authors

Gade, P. / Kim, Y. / Endres, M. / Lee, S. / Yoshikuni, Y. / Gonzalez, R. / Michalska, K. / Joachimiak, A.

Funding support

United States, 1items

Citation

Journal: Commun Chem / Year: 2024
Title: Revealing reaction intermediates in one-carbon elongation by thiamine diphosphate/CoA-dependent enzyme family.
Authors: Kim, Y. / Lee, S.H. / Gade, P. / Nattermann, M. / Maltseva, N. / Endres, M. / Chen, J. / Wichmann, P. / Hu, Y. / Marchal, D.G. / Yoshikuni, Y. / Erb, T.J. / Gonzalez, R. / Michalska, K. / Joachimiak, A.

History

Deposition	Feb 11, 2024	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Oct 2, 2024	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	8vzf.cif.gz	1005.8 KB	Display	PDBx/mmCIF format
PDB format	pdb8vzf.ent.gz	690.7 KB	Display	PDB format
PDBx/mmJSON format	8vzf.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	8vzf_validation.pdf.gz	3.2 MB	Display	wwPDB validaton report
Full document	8vzf_full_validation.pdf.gz	3.2 MB	Display
Data in XML	8vzf_validation.xml.gz	89.8 KB	Display
Data in CIF	8vzf_validation.cif.gz	114.4 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/vz/8vzf ftp://data.pdbj.org/pub/pdb/validation_reports/vz/8vzf	HTTPS FTP

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Related structure data

Related structure data	8vzaC 8vzbC 8vzcC 8vzdC 8vzeC 8vzhC 8vziC 8vzjC 8vzkC 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
Related items in Molecule of the Month	#263 - Nov 2021 Acetohydroxyacid Synthase similarity (11) #213 - Sep 2017 Sirtuins similarity (1) #153 - Sep 2012 Pyruvate Dehydrogenase Complex similarity (2) #154 - Oct 2012 Citric Acid Cycle similarity (1)

Deposited unit

A: 2-Hydroxyacyl-CoA Lyase/Synthase

B: 2-Hydroxyacyl-CoA Lyase/Synthase

C: 2-Hydroxyacyl-CoA Lyase/Synthase

D: 2-Hydroxyacyl-CoA Lyase/Synthase

hetero molecules

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

1

Idetical with deposited unit
defined by author&software

Unit cell

Length a, b, c (Å)	69.800, 178.131, 196.482
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

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Protein , 1 types, 4 molecules ABCD

#1: Protein	2-Hydroxyacyl-CoA Lyase/Synthase Mass: 59788.035 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Alphaproteobacteria bacterium (bacteria) Gene: DCO82_10540 / Plasmid: v53 / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): Gold / References: UniProt: A0A3C0TX30, oxalyl-CoA decarboxylase

#1: Protein

2-Hydroxyacyl-CoA Lyase/Synthase

Mass: 59788.035 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Alphaproteobacteria bacterium (bacteria)
Gene: DCO82_10540 / Plasmid: v53 / Production host:

Escherichia coli BL21(DE3) (bacteria) / Variant (production host): Gold / References: UniProt: A0A3C0TX30, oxalyl-CoA decarboxylase

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Non-polymers , 9 types, 363 molecules

#2: Chemical	ChemComp-FYN / S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]-9,13,15-TRIHYDROXY-10,10-DIMETHYL-13,15-DIOXIDO-4,8-DIOXO-12,14,16-TRIOXA-3,7-DIAZA-13,15-DIPHOSPHAHEPTADEC-1-YL} THIOFORMATE Mass: 795.544 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₂₂H₃₆N₇O₁₇P₃S / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical	ChemComp-TPP / THIAMINE DIPHOSPHATE Mass: 425.314 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₁₂H₁₉N₄O₇P₂S / 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
#5: Chemical	ChemComp-ADP / ADENOSINE-5'-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
#6: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₂H₆O₂
#7: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: SO₄
#8: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Cl
#9: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₃H₈O₃
#10: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 336 / 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: 2.57 Å³/Da / Density % sol: 52.07 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 7.5 / Details: 0.1 M HEPES pH 7.5, 20 % (w/v) PEG 8000

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.97918 Å
Detector	Type: DECTRIS PILATUS3 X 6M / Detector: PIXEL / Date: Feb 14, 2023
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97918 Å / Relative weight: 1
Reflection	Resolution: 2.36→50 Å / Num. obs: 99068 / % possible obs: 97.2 % / Redundancy: 5.8 % / B_iso Wilson estimate: 32.67 Å² / CC_1/2: 0.96 / R_merge(I) obs: 0.263 / R_pim(I) all: 0.111 / R_rim(I) all: 0.288 / Net I/σ(I): 6.21
Reflection shell	Resolution: 2.36→2.39 Å / Redundancy: 4.9 % / R_merge(I) obs: 1.126 / Mean I/σ(I) obs: 1.08 / Num. unique obs: 4335 / CC_1/2: 0.548 / R_pim(I) all: 0.518 / R_rim(I) all: 1.25 / % possible all: 85.6

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Processing

Software

Name	Version	Classification
PHENIX	1.20.1_4487	refinement
HKL-3000		data reduction
HKL-3000		data scaling
HKL-3000		phasing
MOLREP		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.36→47.35 Å / SU ML: 0.3345 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 26.8498
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2472	4893	4.95 %
R_work	0.2073	93957	-
obs	0.2093	98850	97.02 %

Solvent computation

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

Displacement parameters

B_iso mean: 36.18 Å²

Refinement step

Cycle: LAST / Resolution: 2.36→47.35 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	16725	0	458	336	17519

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0031	17598
X-RAY DIFFRACTION	f_angle_d	0.6719	23949
X-RAY DIFFRACTION	f_chiral_restr	0.0449	2547
X-RAY DIFFRACTION	f_plane_restr	0.0046	3167
X-RAY DIFFRACTION	f_dihedral_angle_d	13.8549	6507

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 (%)
2.36-2.38	0.3692	136	0.3322	2653	X-RAY DIFFRACTION	82.83
2.38-2.41	0.3512	134	0.3073	2782	X-RAY DIFFRACTION	86.12
2.41-2.44	0.3309	156	0.2939	2777	X-RAY DIFFRACTION	88.96
2.44-2.47	0.3374	164	0.2907	2882	X-RAY DIFFRACTION	90.52
2.47-2.51	0.331	153	0.2885	2950	X-RAY DIFFRACTION	92.43
2.51-2.54	0.3165	172	0.2712	3025	X-RAY DIFFRACTION	95.23
2.54-2.58	0.326	161	0.2787	3107	X-RAY DIFFRACTION	97.12
2.58-2.61	0.3355	175	0.2871	3103	X-RAY DIFFRACTION	98.17
2.61-2.66	0.3535	165	0.2715	3196	X-RAY DIFFRACTION	99.5
2.66-2.7	0.2958	173	0.2686	3189	X-RAY DIFFRACTION	99.7
2.7-2.75	0.3172	141	0.2656	3165	X-RAY DIFFRACTION	99.1
2.75-2.8	0.2939	163	0.2649	3182	X-RAY DIFFRACTION	98.5
2.8-2.85	0.2951	185	0.2472	3160	X-RAY DIFFRACTION	99.91
2.85-2.91	0.2819	159	0.2544	3219	X-RAY DIFFRACTION	99.59
2.91-2.97	0.2911	159	0.2405	3186	X-RAY DIFFRACTION	99.88
2.97-3.04	0.2806	176	0.2454	3202	X-RAY DIFFRACTION	99.79
3.04-3.12	0.2833	174	0.2444	3182	X-RAY DIFFRACTION	99.67
3.12-3.2	0.2807	181	0.244	3181	X-RAY DIFFRACTION	99.59
3.2-3.29	0.2889	165	0.23	3211	X-RAY DIFFRACTION	99.53
3.29-3.4	0.2674	159	0.2167	3163	X-RAY DIFFRACTION	98.72
3.4-3.52	0.2387	166	0.2042	3223	X-RAY DIFFRACTION	99.09
3.52-3.66	0.2555	171	0.1925	3228	X-RAY DIFFRACTION	99.47
3.66-3.83	0.2411	147	0.1808	3221	X-RAY DIFFRACTION	99.47
3.83-4.03	0.2278	167	0.1683	3201	X-RAY DIFFRACTION	99.2
4.03-4.28	0.2054	194	0.1597	3217	X-RAY DIFFRACTION	99.16
4.28-4.61	0.1777	157	0.1466	3195	X-RAY DIFFRACTION	97.9
4.61-5.08	0.1828	166	0.1441	3251	X-RAY DIFFRACTION	99.1
5.08-5.81	0.1897	144	0.1655	3293	X-RAY DIFFRACTION	98.54
5.81-7.32	0.1908	152	0.166	3256	X-RAY DIFFRACTION	97.62
7.32-47.35	0.1515	178	0.1494	3357	X-RAY DIFFRACTION	95.98

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	0.637036943666	0.0561450438704	0.365555675759	0.426986229465	-0.608933135951	0.886337124774	0.0605332444128	0.169249468657	0.00537422455212	-0.0470118936105	-0.0447462856816	-0.00399163069553	0.0263722931995	0.148942200764	-0.0118269979073	0.280352726381	0.0227745630343	0.00676262095477	0.438384928297	-0.0289327951636	0.214783398129	-11.4978991547	14.1886442094	-20.1431735488
2	0.82099218068	-0.303080165668	0.578453633301	0.514293272034	-0.317311592003	0.827904132714	-0.0995521867665	0.213799350014	0.0816224330674	0.0395599898008	0.0182696056865	-0.0460758350579	-0.00309461870206	0.288482011351	0.0769574473345	0.408874080438	-0.0218799767362	0.0137011369487	0.513507066301	0.0208183129845	0.216935786895	-25.1639542917	21.1675636983	-41.3898270853
3	2.45438755849	-0.524339988067	0.937095136756	2.64771641658	0.362295455178	0.476785978893	-0.131095623941	-0.0532316295542	0.239985921737	-0.108181340157	0.152448958485	-0.110071958836	-0.0114346243435	0.239014244496	-0.0464946293862	0.380221800881	-0.00503447930744	-0.00216111287847	0.388040843847	0.0250553477246	0.247080850046	-36.1714523836	34.283598183	-39.8857136077
4	0.531390958729	0.0181916657636	0.111507217351	0.835317124979	-0.202279231159	1.41738554041	0.0817814890859	-0.0032654760599	0.0249490884746	0.0229121262962	-0.0720673074391	0.159959233347	0.124079016202	-0.231421899778	0.0221135835447	0.287667096499	-0.0236761416384	0.00587730597505	0.416963051397	-0.00785427039858	0.195869774549	-43.5389088321	21.41283731	-37.8679770918
5	0.768229184502	-0.011774844947	-0.00349459172082	0.579322972911	0.183313917	0.103889331514	-0.0209320165892	0.117044760839	0.136761216341	-0.061513983019	-0.0720352162844	-0.00457103654422	-0.181605609442	0.204501859966	0.0999838359514	0.320172750735	0.0176042763131	-0.0116936250813	0.378515726265	-0.00483777115555	0.212182228234	-38.1890060414	35.2769265376	-27.6087655947
6	1.72735464045	0.938065242673	-0.266044067986	3.32390678456	-0.921946332947	0.232070701355	0.13116648463	-0.0911425661394	0.239984966827	0.31458104084	0.0498449745188	0.365775879538	-0.241807439029	-0.375553095269	-0.182975790648	0.382447361701	-0.0149562222992	0.0367414548341	0.436721585071	-0.0314648794058	0.211170335649	-33.9528906781	29.2969344977	-5.78158102061
7	0.39655239673	0.323681560345	0.318817689229	1.01901472468	0.804082307236	0.604678197597	-0.0736203100205	-0.0928088145789	0.144618786829	-0.144206927401	-0.0335033992258	0.154083751361	-0.0258992415057	-0.216733651398	0.0636390764653	0.32918912737	0.0602307008379	0.00358401654366	0.486100843223	-0.0044491224803	0.238060350158	-36.8582882378	36.9414620954	-7.88741926695
8	0.542210344957	-0.0533682407688	-0.553702500897	1.20444806561	-0.118353462349	1.48853290699	0.154499440198	-0.0188997064964	0.0224955421774	0.0131273230749	-0.110306324311	0.21162822398	-0.00180181962111	-0.121460558322	-0.0260935817551	0.247556941747	0.0193971488895	0.0155856296884	0.486804135053	-0.00581942470138	0.249120295979	-48.7892018952	9.38275477281	-1.51381265288
9	0.516640045232	0.13131424757	-0.300704735595	0.543961156768	0.00725340743886	0.269427173049	0.112535626824	-0.109789911554	0.0202760312714	0.0561990035269	-0.0835318526972	0.0684049643242	0.0456635771747	-0.0605724107226	-0.0102940072524	0.304829055637	0.0390159397556	-0.0126864514249	0.474444248517	-0.00722797328073	0.22713132623	-36.0547077108	2.9966252271	-8.79484603606
10	0.561852595083	-0.174379621541	0.29157768702	0.392395443321	-0.279533015726	0.285818897611	-0.0105998506181	0.0717723323994	0.0155252757728	0.0533818176227	-0.0761235759867	-0.0393730487287	0.0526997709893	0.0630586716312	0.0767200868441	0.317734531491	-0.00428500258016	-0.00541466167961	0.467082465036	0.00138963132186	0.187899847216	-16.2960669711	-8.62841713121	9.84033999406
11	0.273648335254	0.0392676680175	0.296050246195	0.620787840899	-0.153712509006	0.439022152194	-0.0267619900528	-0.0725785125047	0.00219852623522	0.0213810976631	0.0135804609288	-0.0844496797722	0.000396992809532	0.0111857748744	0.00762400160496	0.350748292942	0.00158595973429	-0.0126845631342	0.553141074768	-0.00998566436177	0.216814609416	-13.6872245026	6.62847663973	15.9511665007
12	2.57311881414	0.830204654305	0.205125374506	1.49035393213	0.298357049572	1.65796492243	-0.0189023282236	-0.36331543915	-0.109939881896	-0.256448721238	-0.182301853836	-0.141915098586	-0.288194085635	0.272051298018	0.168947105438	0.329766940081	-0.0409992768212	0.00387369547571	0.410776153387	0.0179449424449	0.234209768049	-21.7029094247	22.5425357862	4.65057783894
13	1.00352490675	-0.910657849937	-0.517428125076	1.82051420222	0.797542672563	1.75994308845	0.027130021878	-0.120647546848	0.174738417293	0.126494458086	0.0204659745134	-0.230771027545	-0.205015500838	0.13823695531	-0.0339187451436	0.309259776624	-0.0788761979778	-0.0523745075772	0.343141294597	-0.0199904349414	0.22035375811	-13.9624038253	25.7770397839	7.75555288387
14	0.773708044466	0.236102842982	0.914630359389	1.71785161091	-0.359596583019	1.34890459457	0.0705637957677	-0.148313334151	0.0268200351209	-0.152920769195	-0.0810871518838	-0.0921213681829	0.16563673332	0.125337345757	-0.00750271836028	0.32461718843	0.11515991056	0.038254649966	0.557974959687	-0.0117175644852	0.210571160028	-2.12171085636	-24.1523614763	-24.0224706045
15	0.51875377748	-0.0511856286697	0.378845165637	0.469036116096	-0.348329634373	0.465337042776	0.0351740753043	0.0287583354197	0.0829025837307	0.0179238155528	0.0308358389356	-0.050084205907	0.075431439726	0.0643207262873	-0.0686855301591	0.330944733989	0.0247252516285	-0.0156533673512	0.489367863395	-0.0238156137785	0.218764535294	-15.6539421534	-14.8485141258	-20.5870841958
16	0.339156404927	0.128756578828	-0.0145834616289	0.417127952651	0.0739226293361	0.989733082322	0.0119450252163	-0.0852906184614	-0.0583902994038	0.037967072001	-0.0453556549922	0.0585468775399	0.208947606412	-0.17534376997	0.0316118537465	0.407945192623	-0.0317538483786	0.00494930170866	0.484875870207	0.0279083870855	0.257003783787	-36.810118126	-32.612487869	-7.7553736078
17	0.934849166277	-0.49537416094	-0.694140673766	1.76214056873	-0.105750184138	0.749671094723	0.116444547096	0.106821947867	-0.0869839031368	-0.556860754251	-0.00247472786014	0.168690760275	-0.0580014176523	0.0184077094679	-0.122083419106	0.46021399868	0.0132952884032	-0.0496465018972	0.633463384155	-0.0692915301005	0.238806301453	-33.7527777129	-32.8566502122	-36.2062164075
18	1.11764785458	-0.309900339274	-0.891975767034	1.01771548913	1.10858924245	1.45019151422	-0.0947465380844	0.264526417479	0.00362638248321	-0.00515102457517	-0.0111937369464	0.107611572523	0.233526528954	-0.297951313126	0.099764279674	0.488155530631	-0.0219075339191	-0.016415373097	0.447045535588	-0.0312748761183	0.240926195962	-36.7195669615	-40.5366452097	-34.0726573412
19	1.07560929625	0.163914046133	0.184499588688	0.351995724746	-0.0736426136472	0.150286664472	0.00307847969264	-0.130840721491	-0.00372896335078	-0.0421152274299	0.00136416341472	0.0838812355751	0.0659523387443	0.0272598775532	-0.00724053220756	0.330377415389	0.00552644216092	-0.0274418669308	0.467802804784	-0.0401904559427	0.226815771062	-40.1024361786	-8.72322161949	-35.2648696956
20	0.652171186004	-0.121715970155	-0.0334956767563	0.481747231025	-0.216609224183	0.651866179818	0.0133781312715	-0.0276293466164	0.0108674996596	-0.0969165231527	-0.0768775886369	-0.0284587859439	-0.0718865958596	0.104111485365	0.076558574861	0.393735417315	0.0186115882652	-0.0126630527524	0.49065288911	-0.0174317946257	0.232947135897	-15.8505024544	5.18682350086	-51.6648088348
21	0.545012109138	0.0175591622427	-0.51485838845	1.40524968459	0.588802218663	1.8374754911	0.0374732932667	0.0669028106851	0.123452617322	-0.288198022633	0.0611188947793	-0.248326602194	-0.110566296239	0.17422654479	-0.0906489207179	0.338153378002	-0.0124330810892	0.0221589873512	0.629217394459	-0.0115547140168	0.155902267209	-6.78916620306	2.88982483067	-63.3092155287
22	0.142134056123	-0.136041357621	-0.26521350374	1.13765890903	0.305828718398	0.557984392193	0.0254798121946	0.0527426944837	-0.0842222253239	-0.280263556399	-0.00182689766418	0.00575949884572	0.0429717584241	0.0762239493591	-0.0234998731772	0.403753534424	0.0213148086045	-0.0186276363278	0.543938054824	-0.0210068407653	0.208270640633	-17.5908391365	-18.6469952911	-53.3036094837
23	1.58723881597	0.615412126495	-0.242213374573	1.48348359064	0.428350498763	3.02447932822	0.134783028359	0.171425985663	-0.247964103587	0.094959911874	-0.196766104325	-0.0765575465471	0.43387789934	0.122211183397	0.0256489531477	0.511723226372	0.0199221755381	-0.0083980605948	0.338981171317	-0.0221098998986	0.209908712469	-18.0454218555	-30.9241907429	-43.6517508344
24	0.757088443906	0.317124939234	-0.385029901035	0.971271538244	-0.285155220009	1.24896986862	-0.112026157558	0.00069432908218	-0.161436533226	-0.0371508340726	0.0335372345026	-0.156760920212	0.146678675465	0.0300552526322	0.111363142042	0.427495895569	0.0708755166139	0.00327000151694	0.546192046082	-0.0524583033363	0.244166407919	-13.0459389547	-26.7295922269	-53.6236692003

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 -2 through 170 )	A	A	-2 - 170	1 - 173
2	2	chain 'A' and (resid 171 through 223 )	A	A	171 - 223	174 - 226
3	3	chain 'A' and (resid 224 through 250 )	A	A	224 - 250	227 - 253
4	4	chain 'A' and (resid 251 through 318 )	A	A	251 - 318	254 - 321
5	5	chain 'A' and (resid 319 through 438 )	A	A	319 - 438	322 - 441
6	6	chain 'A' and (resid 439 through 491 )	A	A	439 - 491	442 - 494
7	7	chain 'A' and (resid 492 through 554 )	A	A	492 - 554	495 - 557
8	8	chain 'B' and (resid -2 through 53 )	B	G	-2 - 53	1 - 56
9	9	chain 'B' and (resid 54 through 169 )	B	G	54 - 169	57 - 172
10	10	chain 'B' and (resid 170 through 318 )	B	G	170 - 318	173 - 321
11	11	chain 'B' and (resid 319 through 438 )	B	G	319 - 438	322 - 441
12	12	chain 'B' and (resid 439 through 481 )	B	G	439 - 481	442 - 484
13	13	chain 'B' and (resid 482 through 554 )	B	G	482 - 554	485 - 554
14	14	chain 'C' and (resid -4 through 53 )	C	N	-4 - 53	1 - 58
15	15	chain 'C' and (resid 54 through 170 )	C	N	54 - 170	59 - 175
16	16	chain 'C' and (resid 171 through 438 )	C	N	171 - 438	176 - 443
17	17	chain 'C' and (resid 439 through 491 )	C	N	439 - 491	444 - 496
18	18	chain 'C' and (resid 492 through 554 )	C	N	492 - 554	497 - 559
19	19	chain 'D' and (resid -2 through 170 )	D	T	-2 - 170	1 - 173
20	20	chain 'D' and (resid 171 through 318 )	D	T	171 - 318	174 - 321
21	21	chain 'D' and (resid 319 through 363 )	D	T	319 - 363	322 - 366
22	22	chain 'D' and (resid 364 through 450 )	D	T	364 - 450	367 - 453
23	23	chain 'D' and (resid 451 through 506 )	D	T	451 - 506	454 - 509
24	24	chain 'D' and (resid 507 through 554 )	D	T	507 - 554	510 - 557

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