PDB-8vza: Crystal Structure of 2-Hydroxacyl-CoA Lyase/Synthase ApbHACS from...

ID or keywords:

Entry

Database: PDB / ID: 8vza

Title

Crystal Structure of 2-Hydroxacyl-CoA Lyase/Synthase ApbHACS from Alphaproteobacteria bacterium in the Complex with THDP, L-Lactyl-CoA, 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: 2.05 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	8vza.cif.gz	1012.1 KB	Display	PDBx/mmCIF format
PDB format	pdb8vza.ent.gz	692.1 KB	Display	PDB format
PDBx/mmJSON format	8vza.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/vz/8vza ftp://data.pdbj.org/pub/pdb/validation_reports/vz/8vza	HTTPS FTP

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Related structure data

Related structure data	8vzbC 8vzcC 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: 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)	69.409, 102.679, 104.344
Angle α, β, γ (deg.)	114.100, 96.740, 105.230
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	2-Hydroxyacyl-CoA lyase/Synthase Mass: 59951.207 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

2-Hydroxyacyl-CoA lyase/Synthase

Mass: 59951.207 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 , 7 types, 811 molecules

#2: Chemical	ChemComp-8FL / 2-[(2R)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate Mass: 442.322 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₁₂H₂₀N₄O₈P₂S / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical	ChemComp-UQ3 / S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2R)-2-hydroxypropanethioate / Lactyl-CoA Mass: 839.597 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₂₄H₄₀N₇O₁₈P₃S / Feature type: SUBJECT OF INVESTIGATION
#4: 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
#5: Chemical	ChemComp-ACE / ACETYL GROUP Mass: 44.053 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₂H₄O
#6: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Mg
#7: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₃H₈O₃
#8: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 790 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	Y
Nonpolymer details	The authors state that the 2-[(2R)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl- ...The authors state that the 2-[(2R)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate ligand is in an intermediate or transition state.

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal	Density Matthews: 2.64 Å³/Da / Density % sol: 53.43 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 7 / Details: 0.1 M TrisHCl pH 7.0, 20 % (w/v) PEG2000MME

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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: Mar 24, 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: 2.05→50 Å / Num. obs: 144733 / % possible obs: 94.9 % / Redundancy: 3.5 % / B_iso Wilson estimate: 25.36 Å² / CC_1/2: 0.928 / R_merge(I) obs: 0.189 / R_pim(I) all: 0.116 / R_rim(I) all: 0.223 / Net I/σ(I): 7.92
Reflection shell	Resolution: 2.05→2.09 Å / Redundancy: 2.7 % / R_merge(I) obs: 0.671 / Mean I/σ(I) obs: 1.44 / Num. unique obs: 5583 / CC_1/2: 0.49 / R_pim(I) all: 0.471 / R_rim(I) all: 0.823 / % possible all: 73.2

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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: 2.05→49.52 Å / SU ML: 0.2797 / Cross valid method: FREE R-VALUE / σ(F): 1.96 / Phase error: 25.1724
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2427	7055	4.88 %
R_work	0.2067	137397	-
obs	0.2085	144452	94.32 %

Solvent computation

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

Displacement parameters

B_iso mean: 25.56 Å²

Refinement step

Cycle: LAST / Resolution: 2.05→49.52 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	16633	0	438	790	17861

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0036	17513
X-RAY DIFFRACTION	f_angle_d	0.7728	23845
X-RAY DIFFRACTION	f_chiral_restr	0.0465	2547
X-RAY DIFFRACTION	f_plane_restr	0.0064	3159
X-RAY DIFFRACTION	f_dihedral_angle_d	13.802	6455

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 (%)
2.05-2.08	0.3265	155	0.2585	2960	X-RAY DIFFRACTION	61.25
2.08-2.1	0.3128	202	0.2579	3883	X-RAY DIFFRACTION	79.18
2.1-2.13	0.2909	243	0.2464	4460	X-RAY DIFFRACTION	92.82
2.13-2.15	0.304	232	0.2437	4567	X-RAY DIFFRACTION	93.77
2.15-2.18	0.3021	244	0.2474	4555	X-RAY DIFFRACTION	94.79
2.18-2.21	0.3157	233	0.2381	4612	X-RAY DIFFRACTION	95.02
2.21-2.24	0.291	259	0.2298	4672	X-RAY DIFFRACTION	95.45
2.24-2.28	0.2763	244	0.2344	4606	X-RAY DIFFRACTION	95.55
2.28-2.31	0.2722	224	0.2254	4679	X-RAY DIFFRACTION	95.82
2.31-2.35	0.2708	233	0.2214	4567	X-RAY DIFFRACTION	94.96
2.35-2.39	0.2593	238	0.2128	4676	X-RAY DIFFRACTION	94.72
2.39-2.43	0.2424	227	0.2081	4537	X-RAY DIFFRACTION	94.09
2.43-2.48	0.2727	243	0.2095	4610	X-RAY DIFFRACTION	94.2
2.48-2.53	0.2616	243	0.2029	4592	X-RAY DIFFRACTION	96.6
2.53-2.59	0.2754	222	0.2115	4783	X-RAY DIFFRACTION	96.86
2.59-2.65	0.2989	233	0.2124	4686	X-RAY DIFFRACTION	96.74
2.65-2.71	0.257	250	0.2026	4661	X-RAY DIFFRACTION	96.33
2.71-2.79	0.2448	188	0.2085	4743	X-RAY DIFFRACTION	96.59
2.79-2.87	0.254	238	0.2173	4693	X-RAY DIFFRACTION	96.42
2.87-2.96	0.2666	267	0.2222	4644	X-RAY DIFFRACTION	96.16
2.96-3.07	0.2921	255	0.2174	4649	X-RAY DIFFRACTION	95.78
3.07-3.19	0.2535	220	0.2125	4757	X-RAY DIFFRACTION	97.66
3.19-3.34	0.2497	244	0.2097	4737	X-RAY DIFFRACTION	97.61
3.34-3.51	0.2406	235	0.2084	4724	X-RAY DIFFRACTION	97.6
3.51-3.73	0.2282	227	0.19	4765	X-RAY DIFFRACTION	97.5
3.73-4.02	0.2008	246	0.1833	4676	X-RAY DIFFRACTION	96.19
4.02-4.42	0.1947	233	0.1768	4787	X-RAY DIFFRACTION	98.35
4.42-5.06	0.2029	274	0.1729	4716	X-RAY DIFFRACTION	97.88
5.06-6.38	0.1907	255	0.2023	4676	X-RAY DIFFRACTION	96.46
6.38-49.52	0.2108	248	0.2099	4724	X-RAY DIFFRACTION	97.26

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	0.715847140238	0.457524854215	0.18543367327	0.832368473913	0.142904233652	0.895898793388	0.0885270289966	-0.0421952292461	0.0713632389402	-0.0475371798608	-0.082170159607	0.072367525006	-0.0656712700678	-0.197754711413	-0.014293249374	0.138774869408	0.00626725019796	0.00186565023714	0.200163961131	-0.010633362938	0.142048645146	-14.6895456463	18.3429596938	-3.05673832808
2	1.85051570784	-0.76738269593	0.106022942707	2.13687636168	0.809623813168	3.62305269466	-0.114850536895	-0.149048690682	-0.111658339131	0.220544936348	0.0289326514072	0.235859944849	0.222433574911	-0.130075520804	0.064690816333	0.153567865077	0.00499457031794	0.0236127181109	0.157744580373	0.016665939203	0.156314888288	-12.9942063748	10.3134494446	4.71010902938
3	1.9813094149	0.906752198116	1.83962846279	0.750392454781	0.809793384872	1.91768283072	-0.00383373448751	-0.214748870101	0.204023243721	0.154323429309	-0.0980869005604	0.18211250679	0.0430477056728	-0.180242267413	0.089462348367	0.220432303015	0.0146190002586	0.0255576383548	0.187524091068	-0.0288853327262	0.196390843835	-1.30586965653	22.7147005076	19.8755766541
4	1.24213627095	-1.49368383779	-1.93958874015	2.59721442009	2.10983776137	8.43387013072	0.190486486737	0.139389816354	0.130134945585	-0.357357803871	-0.0656230631962	-0.0532874254125	-0.583021106043	-0.13171491198	-0.0875500252907	0.169580556767	-0.0274493659403	0.0137751515932	0.174094872447	0.0220052444404	0.216597672122	9.96921477762	35.8377209329	18.7343976215
5	0.496196626015	-0.195449369032	-0.807785681427	2.98770946329	0.377388602616	2.88903946478	-0.110702780405	-0.0585673016417	0.00247569865854	0.112036970437	0.107910127926	-0.0780568021787	0.0388408620791	0.10680024264	0.0121873615106	0.128669145288	-0.00553223016253	-0.0343069224103	0.227809788312	-0.0248403693206	0.128043437393	17.7916733814	23.174767404	16.9034131824
6	0.988800675886	0.455105715184	-0.373124119966	0.786149627624	-0.0873543157725	2.3267020202	0.111998348398	-0.199974232246	0.18494102392	0.0939189121223	-0.0796785888519	0.00770876087495	-0.322179123966	0.317273706919	-0.0415950656576	0.197716009617	-0.0144472336946	-0.00829181138782	0.158730913732	-0.0345676936253	0.164829275884	18.9699767801	37.2230590404	20.7986089083
7	1.40972722673	0.66325922682	-0.0184987658338	1.04380926882	-0.114118501812	1.1048865725	-0.0503330596354	0.0572365240587	0.221728423164	-0.0404678919077	0.0267722321454	0.0199723584787	-0.387185714887	-0.0178319007607	0.00331911520539	0.277867283397	-0.00750956786963	-0.0360806307395	0.151009056471	0.0235574026666	0.205437809764	8.46398332917	36.9345606388	-1.82872546897
8	5.83272277871	-0.770087900127	0.683714450553	3.13323665969	-0.312167146647	0.722755467407	-0.177646269103	0.203537075118	0.147623710542	-0.231226640747	0.143764577744	-0.0516764576706	-0.169191730173	0.0423464522625	0.0266034614967	0.265955963722	-0.0278744022959	-0.00987044392422	0.206160770618	-0.00760202191777	0.105402390229	4.86046982044	32.7870085354	-12.5232573942
9	1.09620148454	-0.625733732707	0.91342338805	5.38673963782	-1.06312895398	1.14593746938	0.227020633285	0.44616720876	0.398936998939	-0.649458333923	-0.259341777692	-0.45012501016	-0.204669439653	0.152642512147	-0.00402905395223	0.308710369318	-0.0632154369426	-0.0122369971815	0.283701567389	0.0530294395158	0.159594277043	9.75330470548	34.9463192907	-21.206444358
10	1.59071966034	-0.0556187889284	0.697396444119	0.340912009227	-0.512256970568	0.821561059351	-0.340089700249	0.143017723122	0.397106963059	0.0572442213374	0.0290162188138	-0.309165161178	-0.311223880269	0.140533387735	0.284116677936	0.348173294893	-0.08123371636	0.01155657244	0.181619739644	0.0049198191494	0.278045048199	13.8967414621	38.7427646939	-8.47670503812
11	0.679253010468	-0.175896525653	-0.627991626182	0.329792992804	-0.00889071926525	1.02501697353	-0.017081284944	-0.0150469171032	-0.0446892652568	0.0318049954865	-0.0101816018592	-0.0274487747149	0.00756350938589	0.111323619494	0.035115059019	0.129945805845	-0.0162827409852	-0.00133010863552	0.174586398202	0.0050177948924	0.177841161817	14.2811490209	6.7623079121	-14.4432106869
12	0.200859546657	0.203937129957	0.38808958522	0.709266856871	0.0168194176488	0.769543016448	0.015494458934	0.0624799324524	-0.042822543591	-0.029650597781	0.0150600477824	0.0286724555931	0.077451832752	-0.00720988501024	-0.0328715021891	0.181826435076	-0.010957722908	0.0274250885807	0.247411859506	-0.0187221500021	0.159811445194	-11.8914055746	-6.47785218108	-33.2317575952
13	1.53713919176	-0.119902955452	0.354540031734	0.775258987224	-0.0816959906136	0.597528954888	-0.0338901981352	0.110842288248	0.141741837692	-0.0785863817542	0.0129659369799	0.0417429091077	-0.105630126219	0.0169382932238	0.0341068487134	0.231642952237	-0.0112034594021	0.0139268910501	0.206118002415	0.0126721508374	0.151819936885	-8.68576817479	21.9552632936	-30.076533486
14	1.05788529003	0.0391291290586	-0.100060017599	0.918821574024	0.148679258606	0.782517808085	0.0369931909305	0.00720787489848	0.047505606004	0.0142301344938	-0.00374056015159	0.00165071152423	-0.0429302879098	-0.0828109200176	-0.0364578796593	0.152103250031	-0.00971261957066	0.00556036905755	0.163948009961	0.0110508655507	0.132552987411	-14.5623230162	-16.2058745121	0.887424382817
15	3.28352440111	-1.28294764326	-2.5170018433	0.904458007648	0.907798063107	2.06513619376	0.172072985527	0.433955832913	-0.142666114649	-0.231142183123	-0.183505368489	0.11848760791	-0.0909585095172	-0.304704738352	0.0083300277137	0.282101638215	0.0034696182685	-0.0408642619442	0.189185246543	-0.022260043556	0.217574649658	-0.694066648519	-23.1255804003	-20.4565007581
16	2.63274595552	0.651518271437	0.589335383012	1.57880760296	0.0301662449196	2.61312497272	0.0109623824601	0.0588436987548	0.0890542449351	-0.163823097838	-0.0387772879824	-0.0479384808727	-0.107455154144	0.0018093143967	0.0270429103664	0.194138944821	0.0384649418594	0.00291986457551	0.142992080958	-0.0167125578241	0.161714720011	15.2789496323	-27.3018769501	-17.4965263789
17	0.57073039183	-0.521996345525	-0.152470406745	0.667664920102	-0.245419745425	0.623726402107	-0.0298955417353	-0.0256833290788	-0.0255670054598	0.0689041658037	0.0227879872212	-0.0978926946354	0.201774182904	0.0485192227613	0.00350281103902	0.251808422943	-0.00269608378185	-0.0319381013007	0.166243439985	-0.00872178360653	0.230189972699	12.3096951953	-37.2867426294	-6.56467224817
18	2.13537553377	0.672775721098	-0.734722968175	1.17178868323	-0.418192019821	1.2435395618	0.0212079912807	-0.20497054712	-0.0759527506862	0.156681380174	-0.000305018578719	-0.0285393739988	0.161785155797	0.119090526175	-0.0122445318503	0.258251417483	0.0323777011452	-0.017392016438	0.180939504495	0.0123983361494	0.188878623064	9.28862983674	-35.7546798582	13.5797784154
19	1.00324803216	-0.240344691229	0.287079791515	0.613124605395	0.313268014247	1.17339146519	-0.000675297023506	0.00438278345583	-0.0544269953637	0.0181462277432	0.0223453307282	-0.0919654101243	0.00722271060285	0.159127336859	-0.0105123569251	0.133060397499	-0.0157572481959	0.00132760251991	0.174214003476	0.0118901217361	0.139992298638	14.84303613	-10.1176067644	15.8030157431
20	2.10713942789	-0.665674436162	0.189472595466	1.85136546167	1.33087546876	2.70521884636	0.0493050903421	0.252407032046	0.208255046744	-0.211756249643	0.0167180756686	-0.168934760704	-0.224492511375	0.222284707732	-0.0569962348946	0.188703557821	-0.0153529875523	0.0114210567872	0.194163742871	0.0436307203472	0.184215174999	13.1958767461	0.188802268921	11.4321543102
21	2.45362548224	-1.00028601429	-1.9474123585	0.713998828952	0.965104772977	1.46781000654	0.086067295662	-0.282865759877	0.232813473287	-0.0623508823456	0.0707057120554	-0.0885832159321	-0.121361353073	0.25109958025	-0.149395138776	0.221015796777	-0.0140306874226	-0.0307171547256	0.311581907032	-0.0110146797984	0.162406260067	1.34006713224	9.36219401982	28.7413210653
22	2.29705348308	0.202023306693	-0.491729782412	2.61055041389	0.835499311358	2.24387703334	-0.0404648302024	-0.0560534039398	0.0057685228384	0.110612036781	-0.0188967482744	0.0539812541852	0.0344466815494	-0.155913189307	0.0725036748646	0.165775793807	-0.00809180543709	0.0078652353917	0.19083000261	-0.0048289878363	0.113650873314	-15.1757057361	5.48152252276	31.7703973968
23	0.402891259499	0.0125370027236	-0.382052308088	0.382835701458	-0.0586093964714	0.443348188838	-0.0174103551419	-0.0966295043492	-0.0189801038364	0.104214709504	0.0240207685278	-0.00250033541734	0.0895183038022	0.000657859208271	0.00317689304644	0.251096790746	-0.00239656801883	0.00208469830862	0.24800220787	0.0182120880701	0.150729049456	-12.1739551206	-8.45281739034	36.7839527325
24	2.00519372449	-0.992092872374	0.0880716853499	1.6052565178	-0.340583603863	1.63463625794	-0.0525076254086	0.129813076496	-0.20068851476	-0.126206126369	0.0320950107068	0.061914617338	0.240826714795	-0.0681125631595	0.0282797140581	0.264395333639	-0.0404456869726	-0.000643630493991	0.163820497525	0.0293060649125	0.151611571705	-8.87096346796	-26.3265323155	27.7522396767

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 250 )	A	A	224 - 250	227 - 253
5	5	chain 'A' and (resid 251 through 318 )	A	A	251 - 318	254 - 321
6	6	chain 'A' and (resid 319 through 363 )	A	A	319 - 363	322 - 366
7	7	chain 'A' and (resid 364 through 438 )	A	A	364 - 438	367 - 441
8	8	chain 'A' and (resid 439 through 481 )	A	A	439 - 481	442 - 484
9	9	chain 'A' and (resid 482 through 515 )	A	A	482 - 515	485 - 515
10	10	chain 'A' and (resid 516 through 554 )	A	A	516 - 554	516 - 554
11	11	chain 'B' and (resid -2 through 169 )	B	F	-2 - 169	1 - 172
12	12	chain 'B' and (resid 170 through 363 )	B	F	170 - 363	173 - 366
13	13	chain 'B' and (resid 364 through 554 )	B	F	364 - 554	367 - 553
14	14	chain 'C' and (resid -5 through 170 )	C	L	-5 - 170	1 - 176
15	15	chain 'C' and (resid 171 through 223 )	C	L	171 - 223	177 - 229
16	16	chain 'C' and (resid 224 through 318 )	C	L	224 - 318	230 - 324
17	17	chain 'C' and (resid 319 through 438 )	C	L	319 - 438	325 - 444
18	18	chain 'C' and (resid 439 through 554 )	C	L	439 - 554	445 - 557
19	19	chain 'D' and (resid -2 through 120 )	D	Q	-2 - 120	1 - 123
20	20	chain 'D' and (resid 121 through 169 )	D	Q	121 - 169	124 - 172
21	21	chain 'D' and (resid 170 through 223 )	D	Q	170 - 223	173 - 226
22	22	chain 'D' and (resid 224 through 318 )	D	Q	224 - 318	227 - 321
23	23	chain 'D' and (resid 319 through 438 )	D	Q	319 - 438	322 - 441
24	24	chain 'D' and (resid 439 through 554 )	D	Q	439 - 554	442 - 553

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