PDB-8vzc: Crystal Structure of 2-Hydroxyacyl-CoA Lyase/Synthse ApbHACS from...

ID or keywords:

Entry

Database: PDB / ID: 8vzc

Title

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

Components

Oxalyl-CoA decarboxylase

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: 1.72 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	8vzc.cif.gz	1 MB	Display	PDBx/mmCIF format
PDB format	pdb8vzc.ent.gz		Display	PDB format
PDBx/mmJSON format	8vzc.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	8vzc_validation.pdf.gz	3.5 MB	Display	wwPDB validaton report
Full document	8vzc_full_validation.pdf.gz	3.5 MB	Display
Data in XML	8vzc_validation.xml.gz	113.9 KB	Display
Data in CIF	8vzc_validation.cif.gz	158.9 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/vz/8vzc ftp://data.pdbj.org/pub/pdb/validation_reports/vz/8vzc	HTTPS FTP

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Related structure data

Related structure data	8vzaC 8vzbC 8vzdC 8vzeC 8vzfC 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 (10) #213 - Sep 2017 Sirtuins similarity (1) #153 - Sep 2012 Pyruvate Dehydrogenase Complex similarity (1) #154 - Oct 2012 Citric Acid Cycle similarity (1)

Deposited unit

A: Oxalyl-CoA decarboxylase

B: Oxalyl-CoA decarboxylase

C: Oxalyl-CoA decarboxylase

D: Oxalyl-CoA decarboxylase

hetero molecules

246 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)	69.084, 102.442, 103.977
Angle α, β, γ (deg.)	113.830, 96.810, 105.450
Int Tables number	1
Space group name H-M	P1
Space group name Hall	P1
Symmetry operation	#1: x,y,z

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Protein , 1 types, 4 molecules ABCD

#1: Protein	Oxalyl-CoA decarboxylase Mass: 59512.723 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Alphaproteobacteria bacterium (bacteria) Gene: DCO82_10540 / Plasmid: p53 / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): Gold / References: UniProt: A0A3C0TX30, oxalyl-CoA decarboxylase

#1: Protein

Oxalyl-CoA decarboxylase

Mass: 59512.723 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Alphaproteobacteria bacterium (bacteria)
Gene: DCO82_10540 / Plasmid: p53 / Production host:

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

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Non-polymers , 8 types, 2096 molecules

#2: Chemical	ChemComp-A1AEK / 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(hydroxymethyl)-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium Mass: 455.340 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₁₃H₂₁N₄O₈P₂S / Feature type: SUBJECT OF INVESTIGATION
#3: 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
#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.: 12 / Source method: obtained synthetically / Formula: C₂H₆O₂
#7: Chemical	ChemComp-PO4 / PHOSPHATE ION Mass: 94.971 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: PO₄
#8: Chemical	ChemComp-PEG / DI(HYDROXYETHYL)ETHER Mass: 106.120 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₄H₁₀O₃
#9: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 2063 / 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: 2.63 Å³/Da / Density % sol: 53.31 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 7 Details: 0.2 M sodium sulfate, 0.1 M Bis-Tris Propane pH 7.5, 20 % (w/v) PEG 3350

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 23-ID-B / Wavelength: 1.0328 Å
Detector	Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Apr 14, 2023
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.0328 Å / Relative weight: 1
Reflection	Resolution: 1.72→87.92 Å / Num. obs: 238150 / % possible obs: 92.3 % / Redundancy: 2.7 % / B_iso Wilson estimate: 18.35 Å² / CC_1/2: 0.996 / R_merge(I) obs: 0.07 / R_pim(I) all: 0.054 / R_rim(I) all: 0.088 / Net I/σ(I): 7.2
Reflection shell	Resolution: 1.72→1.81 Å / Redundancy: 2.6 % / R_merge(I) obs: 0.429 / Mean I/σ(I) obs: 1.8 / Num. unique obs: 26539 / CC_1/2: 0.836 / R_pim(I) all: 0.319 / R_rim(I) all: 0.53 / % possible all: 69.7

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Processing

Software

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

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.72→38.63 Å / SU ML: 0.2035 / Cross valid method: FREE R-VALUE / σ(F): 1.97 / Phase error: 21.4612
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.1976	11601	4.88 %
R_work	0.1616	226339	-
obs	0.1634	237940	92.18 %

Solvent computation

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

Displacement parameters

B_iso mean: 21.81 Å²

Refinement step

Cycle: LAST / Resolution: 1.72→38.63 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	16641	0	491	2063	19195

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0146	17648
X-RAY DIFFRACTION	f_angle_d	1.3922	24015
X-RAY DIFFRACTION	f_chiral_restr	0.0655	2545
X-RAY DIFFRACTION	f_plane_restr	0.0147	3174
X-RAY DIFFRACTION	f_dihedral_angle_d	15.7556	6528

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 (%)
1.72-1.74	0.3435	256	0.3286	4593	X-RAY DIFFRACTION	56.14
1.74-1.76	0.3597	256	0.309	5085	X-RAY DIFFRACTION	61.92
1.76-1.78	0.3461	319	0.2848	5658	X-RAY DIFFRACTION	69.69
1.78-1.8	0.2921	330	0.2723	6712	X-RAY DIFFRACTION	82.37
1.8-1.83	0.2943	352	0.2427	7609	X-RAY DIFFRACTION	91.72
1.83-1.85	0.2782	425	0.2388	7633	X-RAY DIFFRACTION	93.65
1.85-1.88	0.2809	394	0.2282	7756	X-RAY DIFFRACTION	94.97
1.88-1.91	0.2699	354	0.215	7802	X-RAY DIFFRACTION	95.25
1.91-1.94	0.2394	379	0.2027	7868	X-RAY DIFFRACTION	95.4
1.94-1.97	0.2396	408	0.2025	7791	X-RAY DIFFRACTION	95.25
1.97-2	0.2503	368	0.2026	7816	X-RAY DIFFRACTION	95.46
2-2.04	0.2346	399	0.2058	7838	X-RAY DIFFRACTION	95.71
2.04-2.08	0.241	437	0.1954	7784	X-RAY DIFFRACTION	95.79
2.08-2.12	0.2141	437	0.1865	7847	X-RAY DIFFRACTION	95.91
2.12-2.17	0.2201	424	0.1899	7810	X-RAY DIFFRACTION	95.72
2.17-2.22	0.2174	395	0.1776	7839	X-RAY DIFFRACTION	95.7
2.22-2.27	0.2345	424	0.173	7746	X-RAY DIFFRACTION	94.99
2.27-2.33	0.2054	411	0.1617	7910	X-RAY DIFFRACTION	96.87
2.33-2.4	0.2192	393	0.1581	7968	X-RAY DIFFRACTION	96.94
2.4-2.48	0.1963	388	0.1496	7923	X-RAY DIFFRACTION	96.71
2.48-2.57	0.1895	397	0.1498	7953	X-RAY DIFFRACTION	97.16
2.57-2.67	0.2009	391	0.152	8013	X-RAY DIFFRACTION	97.3
2.67-2.79	0.1933	402	0.1515	7929	X-RAY DIFFRACTION	97.3
2.79-2.94	0.2027	415	0.1467	7972	X-RAY DIFFRACTION	97.32
2.94-3.12	0.1831	401	0.1488	7933	X-RAY DIFFRACTION	96.85
3.13-3.37	0.1785	411	0.1413	7864	X-RAY DIFFRACTION	96.13
3.37-3.7	0.1654	367	0.1303	8020	X-RAY DIFFRACTION	97.66
3.7-4.24	0.1348	406	0.1165	8042	X-RAY DIFFRACTION	98.12
4.24-5.34	0.1323	461	0.1167	7920	X-RAY DIFFRACTION	97.36
5.34-38.63	0.1735	401	0.156	7705	X-RAY DIFFRACTION	94.29

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	0.621194554525	0.065448486362	0.0634949684855	0.295118112408	-0.110784511249	0.439065676074	-0.000515124916601	0.0672950636036	0.0133122052569	-0.0177003697767	0.0042501328019	-0.0543026543861	-0.0162347378902	0.0872528530108	-0.00411090204511	0.118638788073	0.0100932204019	0.00429230453796	0.146690127116	0.00541200290345	0.0868688594317	14.5226157681	9.80290920362	-15.6006417936
2	1.38537192721	0.521412492251	-0.314759233396	1.51115424105	0.504405477274	1.70698392444	-0.0448462849955	-0.0993908261175	-0.0536561476313	0.0851050632667	-0.000313774832002	-0.0580441324814	0.0974804094087	0.0901000645491	0.0306816093802	0.138244878695	0.0275381609254	0.0060426237278	0.154634677231	0.0212753652092	0.112696957204	13.0698008027	-0.367017304146	-11.2340364342
3	1.80010915132	0.767060910487	1.11833436175	0.74338683404	0.621351094915	0.840580355898	0.0411285170044	0.146668069897	-0.160298596757	-0.00387321948603	0.0454989304489	-0.111460735742	0.0844620149805	0.13569189798	-0.109054591267	0.170192637223	0.0123973797495	0.0168327526005	0.188781944265	-0.0015269584508	0.0850058409989	1.12975753633	-9.60837553885	-28.5574366656
4	0.370786431377	-0.0190823077212	-0.00623152344172	0.915122610786	0.0783181707397	0.530248995613	0.0313421444902	0.060945178614	-0.0304411332363	-0.0682345685889	-0.0294878374623	0.0711431913086	0.001444027707	-0.0579188731298	-0.00309677344017	0.149550704595	-0.00272617435594	-0.00296914542256	0.201006549115	0.00150983871257	0.117748551226	-16.5179712191	-5.20876861765	-34.8631721952
5	0.659422794785	-0.00349170588454	0.448353766537	0.531911432642	-0.171215954698	0.669294306143	-0.0145959159725	0.0398626190427	0.0392733394524	-0.0204406205683	0.00351102643483	0.0272448175381	-0.0602807770023	-0.0192201064926	0.0109246787609	0.179715468768	0.0113447277937	0.0032715827714	0.180027723441	0.0171687597717	0.0912594900878	-6.89816833763	18.6976179344	-30.6592813866
6	1.3610599445	0.851165793447	0.0602140515335	1.10595742544	-0.310208519821	0.882560052517	-0.0744475059309	0.0576786749714	0.115163900487	-0.0325726373808	0.0756336310218	0.120124156477	-0.137522349414	-0.0483707577889	0.000542915543153	0.176876008997	0.0489906830808	-0.00880548325853	0.157351285692	0.0183131944949	0.12077613856	-11.9830720422	27.2672623352	-28.5683505041
7	0.999445431906	-0.238824877807	-0.254924815892	0.957386860251	0.16703108828	1.41244217746	0.0195845366306	-0.0246680460269	-0.000595832263041	0.0179248922103	0.0642608626062	0.121426127903	-0.0404871466183	-0.101099750591	-0.0964396821157	0.159895029071	0.0555910919757	0.00483649746813	0.190466048406	0.0153549720846	0.108682438752	-22.7765489313	22.1150713254	-2.68601689356
8	0.91890782459	1.14005766202	1.27594683808	2.24399361794	1.74222332186	2.02191097987	-0.00272695838472	-0.0350215132543	0.00441975978686	-0.0132961224541	-0.0360213403733	0.0095689000974	-0.0595465257894	-0.0676794716162	0.0461849724913	0.112006148357	0.0213365046028	0.0140036088433	0.159227505046	0.0174737457152	0.0860579832783	-7.71069020972	14.832303844	-3.25018858553
9	1.46385625234	-0.523982834478	0.46842458303	0.797609638406	0.186236815394	2.04290560791	-0.0485608109413	-0.102459187889	-0.029295253862	0.0232771641322	0.0245719013918	0.056415638107	0.0169022465239	-0.143563627811	0.011553474925	0.146196308174	0.017181921087	0.00292191698246	0.161272343212	0.0231447418627	0.107832662036	-13.3280702318	10.3119793275	4.62888868208
10	3.28532073387	0.753642953842	2.40968097759	0.406314121681	0.599056779322	2.16650598294	-0.00670056136637	-0.174395008221	-0.0393466913142	0.0490674657402	-0.000233081608466	0.00406406641372	-0.028871912236	-0.183758478658	0.00865441578701	0.198122304221	0.042255190402	0.0052141899072	0.142085357937	-0.0199312469585	0.124171341068	-1.24320398197	22.7987214963	19.9891271977
11	0.346245529048	-0.00422632864918	0.0071797288731	0.659743106361	-0.15474783842	1.33598905738	-0.000894233291404	-0.0152994337838	0.0407474772214	0.0185519476799	-0.00537723054603	-0.049172072244	-0.177630444398	0.0863449794797	0.00463401217415	0.156354227079	-0.00167850914682	-0.0206138040807	0.162274850319	-0.0167973000705	0.128077264762	16.5267057951	30.433877714	18.3671873718
12	0.761540555327	0.136414562904	0.406749231757	0.582317709864	-0.197290423725	0.981353552123	-0.0877610434368	0.059147057614	0.128099504113	-0.0460322947379	0.00199632349194	-0.0647672606582	-0.166562351812	0.0814358482738	0.0835357041364	0.22315704239	-0.0118512266417	-0.0178098753251	0.122888775758	0.0118081569589	0.137747142565	8.78801726254	36.1312789019	-8.6357395433
13	0.429209696606	-0.0346069164349	0.0259803324302	0.390812938162	-0.0313586111387	0.67922342106	0.0223781915987	0.00514979132628	-0.0237798013423	0.0204289713689	-0.00767989134824	-0.0603218034869	0.042205153688	0.0573804351245	-0.0135602858403	0.156763454003	0.0218725506174	-0.00470712528517	0.157809420711	0.0021684545459	0.10140103208	14.7389401827	-10.031652292	15.9469294703
14	2.19004378685	-0.874206777068	0.427948307463	1.63697251119	0.398153992226	1.17320645292	0.00340904004207	0.0975809985695	0.114823978483	-0.0615416528124	-0.00116015615863	-0.0785124707393	-0.0435067389337	-0.0233774503206	-0.00406499655516	0.145293471311	0.0035598630552	-0.00271239907337	0.125699300649	0.0275111892629	0.0946133892881	13.0792155063	0.299677063368	11.5823850319
15	1.81971623022	-0.76161966158	-1.10183945123	0.657574386712	0.458948250337	0.792443334758	0.0545749993635	-0.0954368904293	0.12837603006	0.0336516939085	0.0179740523324	-0.0835964717151	-0.0988688040065	0.0441256331754	-0.101788764114	0.205868432129	0.00880897720676	-0.0121733042063	0.229568240092	-0.0110316172272	0.102503566322	0.708506756126	9.73586021659	29.1761977372
16	0.191833988311	0.0792582952656	-0.0460302926229	0.664007584823	-0.11337596734	0.356433600584	0.01451533824	-0.080389229801	0.0232683341498	0.0891845785961	-0.0187585666649	0.0502953556417	0.00407722837541	-0.0416093303831	0.00197877179947	0.188367408625	0.0198762041201	0.00345079427137	0.223141738311	-0.00291151822029	0.117096889377	-16.562771285	1.57314810171	35.4836123413
17	0.248442150231	-0.0261979240152	-0.291782175928	0.7627745615	-0.179151504385	0.610808624378	-0.00928694706096	-0.0316907662667	-0.0549821517818	0.0392830598706	0.0132509257548	0.0454943222607	0.0967016574523	-0.0411468329647	0.00447552446518	0.201402201705	-0.00104296004864	-0.00519437163471	0.191434547991	0.020703708728	0.101361764033	-7.71556248395	-21.7773047422	29.0206054488
18	0.285003206509	0.0853528409817	0.0304921716765	0.438250928711	0.0663977609479	0.0520707907746	0.00756085217916	0.0266077068323	-0.0320347271773	0.039728052736	0.0087037048879	0.0445558032071	0.0821497709438	-0.0737187401525	-0.0180730030138	0.206500585895	-0.0017268408341	0.000832970235552	0.200426448802	0.012192425665	0.12294906635	-14.6214786456	-18.2854169006	3.29753819475
19	1.93780720373	0.47998592319	-0.84122700456	0.639192821001	0.0845514011522	3.02609036638	-0.0284900994314	0.0154407663788	0.00322870865619	0.00334480019044	0.0258266512304	0.0412751472429	-0.043537429345	-0.0711476497035	-0.00555430638461	0.149321805341	-0.0108339862982	-0.000436515585256	0.120840274939	0.0224776718056	0.099578528467	-13.0776524105	-10.4757545392	-4.56478418667
20	2.5522271859	-0.90780983881	-1.57245981183	0.517200960084	0.545524258916	1.65573943374	0.0620279418407	0.236524783022	-0.068102975929	-0.0678398945003	-0.071501094237	0.0240666015696	0.0143009468871	-0.164795336346	-0.006343083218	0.202848871466	-0.00384545558863	-0.0146487627333	0.132682862215	-0.0214738304533	0.132146010237	-0.76638267056	-23.1027261656	-19.9900782019
21	0.343739012922	-0.0357200731328	-0.178698047429	0.275824922587	-0.0609555724806	0.551814358112	0.012380288172	0.00935564502605	-0.0697545743854	0.00910785285077	0.000960276914731	-0.0428569902827	0.144605213744	0.0601120060585	-0.00820610740758	0.209789495178	0.0250921575091	-0.0190625764923	0.134678578793	-0.014455574673	0.140129093585	12.1551616029	-32.7069945644	-7.48652202637
22	1.45724935675	0.654177364526	-0.75089920777	1.34478364951	-0.642144390726	1.20818888389	-0.0236205085561	-0.135158724741	-0.0846982934745	0.118652540678	-0.0312593273173	-0.147881027658	0.188041505454	0.140675467234	0.0571211417939	0.225111122233	0.0444697268178	-0.0421498029864	0.132972224903	0.0132989038358	0.157548029385	12.200090642	-36.8373612618	14.5228055378

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 120 )	A	A	-2 - 120	1 - 123
2	2	chain 'A' and (resid 121 through 169 )	A	A	121 - 169	124 - 172
3	3	chain 'A' and (resid 170 through 223 )	A	A	170 - 223	173 - 226
4	4	chain 'A' and (resid 224 through 363 )	A	A	224 - 363	227 - 366
5	5	chain 'A' and (resid 364 through 481 )	A	A	364 - 481	367 - 484
6	6	chain 'A' and (resid 485 through 554 )	A	A	485 - 554	485 - 554
7	7	chain 'B' and (resid -2 through 53 )	B	J	-2 - 53	1 - 56
8	8	chain 'B' and (resid 54 through 120 )	B	J	54 - 120	57 - 123
9	9	chain 'B' and (resid 121 through 169 )	B	J	121 - 169	124 - 172
10	10	chain 'B' and (resid 170 through 223 )	B	J	170 - 223	173 - 226
11	11	chain 'B' and (resid 224 through 363 )	B	J	224 - 363	227 - 366
12	12	chain 'B' and (resid 364 through 554 )	B	J	364 - 554	367 - 555
13	13	chain 'C' and (resid -2 through 120 )	C	R	-2 - 120	1 - 123
14	14	chain 'C' and (resid 121 through 169 )	C	R	121 - 169	124 - 172
15	15	chain 'C' and (resid 170 through 223 )	C	R	170 - 223	173 - 226
16	16	chain 'C' and (resid 224 through 381 )	C	R	224 - 381	227 - 384
17	17	chain 'C' and (resid 382 through 554 )	C	R	382 - 554	385 - 554
18	18	chain 'D' and (resid -2 through 120 )	D	AA	-2 - 120	1 - 123
19	19	chain 'D' and (resid 121 through 169 )	D	AA	121 - 169	124 - 172
20	20	chain 'D' and (resid 170 through 223 )	D	AA	170 - 223	173 - 226
21	21	chain 'D' and (resid 224 through 481 )	D	AA	224 - 481	227 - 484
22	22	chain 'D' and (resid 482 through 554 )	D	AA	482 - 554	485 - 554

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