PDB-9v7y: Crystal structure of class II HMG-CoA reductase from Ruegeria pom...

ID or keywords:

Entry

Database: PDB / ID: 9v7y

Title

Crystal structure of class II HMG-CoA reductase from Ruegeria pomeroyi(Silicibacter pomeroyi))

Components

3-hydroxy-3-methylglutaryl coenzyme A reductase

Keywords

OXIDOREDUCTASE / HMG-CoA reductase / NAD / mevalonate pathway

Function / homology

Function and homology information

hydroxymethylglutaryl-CoA reductase (NADH) activity / hydroxymethylglutaryl-CoA reductase / hydroxymethylglutaryl-CoA reductase (NADPH) activity / coenzyme A metabolic process
Similarity search - Function

Biological species

Ruegeria pomeroyi (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.64 Å

Authors

Xue, H.

Funding support

1items

Citation

Journal: To Be Published
Title: Crystal structure of class II HMG-CoA reductase from Ruegeria pomeroyi(Silicibacter pomeroyi))
Authors: Xue, H.

History

Deposition	May 28, 2025	Deposition site: PDBJ / Processing site: PDBC
Revision 1.0	Jun 3, 2026	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	9v7y.cif.gz	1 MB	Display	PDBx/mmCIF format
PDB format	pdb9v7y.ent.gz	728.7 KB	Display	PDB format
PDBx/mmJSON format	9v7y.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/v7/9v7y ftp://data.pdbj.org/pub/pdb/validation_reports/v7/9v7y	HTTPS FTP

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Related structure data

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	#96 - Dec 2007 Oxidosqualene Cyclase similarity (10)

Deposited unit

A: 3-hydroxy-3-methylglutaryl coenzyme A reductase

B: 3-hydroxy-3-methylglutaryl coenzyme A reductase

C: 3-hydroxy-3-methylglutaryl coenzyme A reductase

D: 3-hydroxy-3-methylglutaryl coenzyme A reductase

E: 3-hydroxy-3-methylglutaryl coenzyme A reductase

F: 3-hydroxy-3-methylglutaryl coenzyme A reductase

hetero molecules

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

1

A: 3-hydroxy-3-methylglutaryl coenzyme A reductase

B: 3-hydroxy-3-methylglutaryl coenzyme A reductase

hetero molecules

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

2

C: 3-hydroxy-3-methylglutaryl coenzyme A reductase

E: 3-hydroxy-3-methylglutaryl coenzyme A reductase

hetero molecules

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

3

D: 3-hydroxy-3-methylglutaryl coenzyme A reductase

F: 3-hydroxy-3-methylglutaryl coenzyme A reductase

hetero molecules

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

Unit cell

Length a, b, c (Å)	71.686, 180.506, 203.890
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

#1: Protein	3-hydroxy-3-methylglutaryl coenzyme A reductase / HMG-CoA reductase Mass: 44460.945 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Ruegeria pomeroyi (bacteria) / Gene: HW564_07565 / Production host: Escherichia coli (E. coli) References: UniProt: A0A850LFE7, hydroxymethylglutaryl-CoA reductase
#2: Chemical	ChemComp-NAD / NICOTINAMIDE-ADENINE-DINUCLEOTIDE Mass: 663.425 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₂₁H₂₇N₇O₁₄P₂ / Feature type: SUBJECT OF INVESTIGATION / Comment: NAD*YM
#3: Chemical	ChemComp-HMG / 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A / (S)-HMG-COA Mass: 906.620 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₂₇H₃₉N₇O₂₀P₃S / Feature type: SUBJECT OF INVESTIGATION
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 131 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	Y
Has protein modification	N

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.47 Å³/Da / Density % sol: 50.25 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion, sitting drop / pH: 5.5 Details: 0.1 M BIS-TRIS propane, pH 9.0, 30% Polyethylene glycol 6000

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: SSRF / Beamline: BL02U1 / Wavelength: 0.97918 Å
Detector	Type: DECTRIS EIGER2 S 9M / Detector: PIXEL / Date: Sep 21, 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: 2.64→46.09 Å / Num. obs: 78635 / % possible obs: 99.9 % / Redundancy: 2 % / B_iso Wilson estimate: 54.93 Å² / CC_1/2: 0.996 / CC star: 0.999 / R_merge(I) obs: 0.0463 / Net I/σ(I): 10.03
Reflection shell	Resolution: 2.64→2.734 Å / R_merge(I) obs: 0.0463 / Num. unique obs: 7784 / CC_1/2: 0.996 / CC star: 0.999

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Processing

Software

Name	Version	Classification
PHENIX	1.20.1_4487	refinement
XDS		data reduction
Aimless		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.64→46.09 Å / SU ML: 0.3608 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 25.0532
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2487	3905	4.97 %
R_work	0.1978	74694	-
obs	0.2003	78599	99.93 %

Solvent computation

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

Displacement parameters

B_iso mean: 62.16 Å²

Refinement step

Cycle: LAST / Resolution: 2.64→46.09 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	17202	0	612	131	17945

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0084	18090
X-RAY DIFFRACTION	f_angle_d	1.0993	24702
X-RAY DIFFRACTION	f_chiral_restr	0.0531	2952
X-RAY DIFFRACTION	f_plane_restr	0.0096	3192
X-RAY DIFFRACTION	f_dihedral_angle_d	17.7717	6648

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 (%)
2.64-2.67	0.363	137	0.3071	2653	X-RAY DIFFRACTION	99.96
2.67-2.71	0.3223	127	0.2735	2642	X-RAY DIFFRACTION	100
2.71-2.74	0.3424	113	0.2662	2650	X-RAY DIFFRACTION	100
2.74-2.78	0.3145	138	0.2537	2648	X-RAY DIFFRACTION	100
2.78-2.82	0.3249	138	0.2558	2615	X-RAY DIFFRACTION	100
2.82-2.86	0.299	149	0.2548	2643	X-RAY DIFFRACTION	100
2.86-2.91	0.3331	122	0.2453	2624	X-RAY DIFFRACTION	100
2.91-2.95	0.3221	139	0.2486	2642	X-RAY DIFFRACTION	100
2.95-3	0.2854	149	0.2442	2641	X-RAY DIFFRACTION	100
3-3.06	0.3041	130	0.2494	2617	X-RAY DIFFRACTION	100
3.06-3.12	0.3161	137	0.2471	2710	X-RAY DIFFRACTION	100
3.12-3.18	0.2779	153	0.2328	2572	X-RAY DIFFRACTION	100
3.18-3.25	0.263	120	0.2255	2696	X-RAY DIFFRACTION	100
3.25-3.33	0.2981	150	0.2249	2608	X-RAY DIFFRACTION	100
3.33-3.41	0.2788	131	0.2303	2703	X-RAY DIFFRACTION	100
3.41-3.5	0.2784	159	0.2116	2598	X-RAY DIFFRACTION	100
3.5-3.6	0.2838	150	0.2001	2673	X-RAY DIFFRACTION	100
3.6-3.72	0.2447	146	0.2009	2629	X-RAY DIFFRACTION	100
3.72-3.85	0.2274	154	0.1894	2657	X-RAY DIFFRACTION	100
3.85-4.01	0.2712	149	0.1906	2672	X-RAY DIFFRACTION	100
4.01-4.19	0.2552	132	0.1774	2676	X-RAY DIFFRACTION	100
4.19-4.41	0.1967	141	0.1714	2669	X-RAY DIFFRACTION	99.93
4.41-4.69	0.213	158	0.1679	2659	X-RAY DIFFRACTION	99.93
4.69-5.05	0.2242	153	0.1651	2695	X-RAY DIFFRACTION	99.89
5.05-5.56	0.2073	129	0.1683	2726	X-RAY DIFFRACTION	99.96
5.56-6.36	0.2585	122	0.188	2736	X-RAY DIFFRACTION	100
6.36-8	0.2105	141	0.1669	2775	X-RAY DIFFRACTION	99.97
8-46.09	0.1847	138	0.1704	2865	X-RAY DIFFRACTION	98.56

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	0.00368711133847	-0.00380710176734	-0.00919035897483	0.363066002577	0.607368160725	1.08002574954	-0.0109048638348	-0.390552651687	-0.0962527942277	0.325962662831	0.469650924906	0.0255894081893	0.267949857351	0.749405200557	0.0983932984778	0.750007592928	0.139272927886	0.00469226595166	0.721774058788	0.243231970442	0.854541705347	4.65407823454	-43.5878612887	42.8634208982
2	0.424335635012	0.0924663361137	-0.0105017492148	0.352477050461	0.351793912074	0.689527525552	-0.22876026996	0.1762467714	-0.199300810811	0.191330661354	0.0854438164558	0.0701551673041	0.523776760681	0.0623913792701	0.0835157131344	0.350653255541	-0.011995710569	-0.0322045669994	0.459020690054	0.301683589913	0.489862218523	-8.62736044945	-36.116585566	39.7009068193
3	0.562843684919	-0.0668658467115	-0.0170026961004	0.718192297534	0.074969591145	0.754414665471	-0.00609434960992	-0.211678365151	-0.0365929620954	0.194590863245	-0.0392072872602	0.0668920114203	-0.0637047140821	-0.0393267145267	2.29045314557E-5	0.167585116222	-0.0151579224257	-0.0199550315746	0.390406383451	0.0957463329297	0.344604152943	-10.0143502222	-9.91432341185	37.5239218645
4	0.179188457332	-0.290964939604	-0.164797536382	0.567850722439	0.483144765642	0.399308896933	-0.00722656800601	-0.176641827978	-0.143129097915	-0.000505956632201	0.0579688585215	-0.0539137029393	0.0961648432858	0.0715929125326	-6.10753790608E-5	0.155341052493	0.0136152601366	-0.0266231187337	0.348573305811	0.13764844732	0.414962223885	2.66950164694	-26.3393377994	26.8576011033
5	0.0738575112834	-0.0636904551667	-0.0410575755736	0.0667251346141	0.0172669347367	0.120612885083	-0.082597014127	0.212853739614	-0.069873102198	-0.21697854317	-0.185117713574	0.0661419700038	0.113988933921	-0.139877240183	0.0214565081272	0.61031579642	-0.245742529562	0.0674339162093	0.847120036152	0.235392181869	0.929183703545	-35.6313667302	-39.0390315591	33.6982863897
6	0.314586817736	-0.0435527234962	0.0616164314073	0.265181909216	0.38433889309	0.588385754059	-0.358020583448	0.0669551681962	-0.171986789401	0.353769196539	0.185497208352	0.3594296919	0.530126446694	-0.230767603759	-0.00387893203978	0.287326967083	-0.155719816022	0.0340102078048	0.54026767464	0.213058883808	0.740986265301	-22.6849284756	-36.9680658992	29.8992314487
7	0.431200490945	-0.105663825057	-0.210288359817	0.473268786506	-0.0961593697608	0.442761908616	0.0252746187237	-0.00149470637723	-0.113778303456	-0.211868322194	-0.0616539560476	-0.0922259512627	0.202218797288	-0.0101481809035	3.0482131926E-5	0.415582059863	0.00519232058634	-0.0650412330379	0.385068976221	0.0438860523404	0.545817360602	-4.5976787306	-27.9629160963	4.42938404846
8	0.45596041387	0.240827560236	0.11110031643	0.524032603109	-0.233397513244	0.462759484673	-0.0307657399895	-0.0699925786835	0.0363062438929	-0.320821888945	0.0364333022109	0.0644135752594	0.154087976259	-0.168198962045	-0.0994603645602	0.128844628874	-0.0711492018883	-0.0832456079904	0.36654734766	0.0647675089804	0.40230142281	-22.2650972708	-21.389724104	22.703135772
9	0.0136561114102	0.0528022792737	0.154533656163	0.347495960964	0.387466828575	0.719653341028	-0.116817725611	-0.188346285625	-0.129394874191	-0.0839002765963	-0.0177634415406	0.385992861713	-0.116820971069	-0.119346133195	-0.154271670198	0.235043545866	-0.0519235254827	0.0238954849347	0.466588060174	0.0854734615718	0.573445347174	-27.4558670923	-22.6171773976	33.3402899035
10	0.295307591521	-0.0040784194169	-0.28428675325	0.00175224025354	-0.000941741060556	0.275754149014	0.0862955277842	-0.321116461369	0.212399813097	0.177846107974	-0.0894385021681	0.411395770048	0.269051281701	0.165982274421	-0.0258410008567	1.03876845862	-0.087391499114	-0.110670909021	0.478314974873	-0.214590633581	0.676174001965	-9.51347295906	41.9275399597	45.1295595495
11	0.460388119537	0.227396241335	0.289100195048	0.611001212631	0.350964546024	0.827109385402	-0.00574478034562	-0.334531745904	-0.149015781085	-0.0377840290095	0.0753622363559	-0.0911996760357	-0.266029816911	0.224551717958	0.00800709549384	0.318831005296	-0.0876497077861	-0.0147941865216	0.359880324513	-0.0171078190699	0.255332098565	6.2012922339	14.427967846	37.2627311099
12	0.374434206217	-0.0682868095121	-0.195916829129	0.972873986451	-0.125600298719	0.45247873328	-0.0430265137033	-0.0458174351163	-0.0442036839489	-0.189362517051	0.0933031226567	0.126326019802	-0.533703014615	-0.0573646916788	0.00391710550509	0.543422118867	0.0504823608955	-0.0940657906644	0.273843396036	-0.00982557976859	0.314944680903	-8.58338318266	24.8725533079	29.9506693722
13	0.0308879629519	-0.00469775477586	-0.010938197478	0.0867164211038	-0.006921346979	0.0292330013484	0.289216461239	0.494864776315	-0.684452467498	-0.224613924792	-0.237039206268	-0.054743490446	0.375819556938	0.440890074904	-0.000586470490794	1.09739660512	-0.0170779039532	0.0243762883184	0.939019571453	-0.185903437345	0.720020728964	1.62736678636	-11.9236509719	-40.5904655251
14	0.0336916059784	0.030332671208	0.0420117622008	0.105540912279	-0.000671594704545	0.0555940973028	0.238710223918	0.262316431277	0.0772321793121	-0.368060108822	0.0117886881042	-0.034265563464	-0.111595482054	-0.12897447644	-0.000262004915243	1.00784839691	0.160076059269	-0.211593388534	0.756077465199	-0.0339681089341	0.522144012208	-18.8035879469	0.876058939094	-35.8158630011
15	0.269694580424	-0.268920166277	0.250621762762	0.905188585187	-0.21476223654	0.551074692714	0.0516114436685	-0.0902446850503	-0.114965042878	-0.347383320769	-0.060373897544	0.165982270236	0.207348323704	0.158017632356	-8.98075441992E-5	0.454855330656	0.0101806042526	-0.142861535847	0.410852874522	-0.0662741899557	0.386005156812	-10.8733844048	-14.8740742028	-14.9631062048
16	0.226178937528	0.148261505261	0.0683498210746	0.221293939542	-0.306115032394	0.914336307365	0.167481041393	0.0212578286529	-0.175569100038	-0.254176135893	-0.167092661106	0.0830469194912	-0.0918382834438	-0.112439102141	0.000326913466037	0.477913781209	0.0168185989454	-0.134823878855	0.466325824817	0.00125159006293	0.491199237507	-16.4324544063	-12.0448668794	-7.73553393796
17	0.661668993473	-0.00327415170606	-0.0148505267484	0.0500491840457	-0.193876384057	0.628117567233	-0.0510897445646	0.0778402649482	-0.201730570331	-0.214854441083	-0.0448380557039	-0.0102965368974	-0.229258149133	0.188200771919	-1.61695850034E-5	0.549089910882	-0.03255331952	-0.0623376331566	0.494761934507	-0.0369195760986	0.387870132245	-0.582795721335	-7.8434561144	-16.2654647454
18	0.0247563596858	0.0303686882768	-0.00978745343453	0.0728842090206	-0.0536875583689	0.0204368364565	-0.242523337288	0.461132389501	0.299136710474	-0.176869119674	0.206947844072	-0.00316700571257	0.000854272289503	0.00690846726805	2.04026406887E-5	1.01308906555	-0.156076331808	-0.0196863595586	1.22155271363	0.0705060407653	0.778169001445	10.2264593351	8.25811175809	-27.8041353766
19	0.152705412317	-0.0828769966467	0.0937296296434	0.178723658196	0.0546079106859	0.165198007182	0.19817198846	0.0426785248568	0.36365563907	-0.218631753013	-0.304085370936	-0.865750354856	-0.291200135529	0.392829701201	-0.00164639336804	1.05378519424	-0.528374841869	0.00485446414943	0.99704678873	-0.130153291121	1.0261566157	27.0549978225	40.6197512949	26.8503985813
20	0.111800754501	-0.0611833944673	-0.0773063677476	0.0380456099803	0.0340341942053	0.0501383926412	0.0678531279711	0.00188945782657	0.370161075276	-0.321304216306	0.0398539458532	-0.12340913904	-0.17816642302	-0.103529057907	0.029629648434	1.0661206148	-0.245320730833	-0.00408430300349	0.37288235941	-0.117412290759	0.535907892899	3.95269742165	42.6738646224	34.8799181908
21	0.470523534859	-0.276690712774	0.276581858165	0.671431059537	0.325600876384	1.16127442357	0.0851372345618	-0.0501522667786	0.0495906388454	-0.339286328789	-0.0756828269573	-0.00206643705302	-0.815301202883	-0.0276913904311	-0.00272453353178	0.867179239987	-0.102284613649	0.00397209052238	0.243648368305	0.0582777215583	0.367654847062	-0.456532793429	27.9210887232	10.1080616902
22	0.0797885113451	-0.130255436648	0.0133982212115	0.309990116357	0.0471713281529	0.211415178477	0.17873684551	0.136288605375	-0.0660617771043	0.265163719328	-0.0848441161174	0.0205142262957	0.149129065348	0.305052599458	-0.000186504259	0.314893878681	-0.136154535124	-0.0114017546892	0.585614977655	0.0231217937032	0.382699223521	26.0399755229	8.31064212763	19.9138334679
23	0.30250683883	-0.175257434785	0.364889166159	0.262112874807	0.055211566767	0.536364593853	0.186533943687	0.169318909186	-0.170490525652	-0.26359348756	-0.243225900663	0.0545798100583	-0.468590576054	0.336722777831	-0.00349084132188	0.579256090713	-0.189072179764	0.0253198687344	0.289740570579	0.0565321730638	0.377117232723	12.1496631942	24.1667147835	18.4840882129
24	-0.00177892432851	-0.00292974581617	-0.000172540057854	0.0428002630169	-0.0467998858561	0.040385500104	-0.293937212483	-0.550592724576	0.018118024113	0.223044414659	-0.352682257916	0.111432304736	0.277560500346	-0.0794776594214	0.000588190757145	0.939141947715	0.0254688695951	-0.0807187544606	1.81639210767	-0.252112380473	1.02944552959	22.6814165245	18.2427301912	38.151745056
25	0.160814967035	-0.0225573675694	0.0273026410664	0.0430225025171	-0.0707159362676	0.0677413162382	0.17869711301	-0.418748935653	-0.0977985398729	-0.392029605131	-0.11730486466	0.622192662917	-0.411143965596	-0.526071927439	3.48295028549E-5	1.00724827325	-0.0120066187016	-0.146019308572	0.778848152278	0.0320170547196	0.69199549987	-29.2813761509	13.7154031252	-34.4202363809
26	0.0424501747513	0.0184237343344	-0.0241247692524	0.0378227984657	-0.0626132075069	0.0843962425925	0.00759281595879	-0.185617827741	0.237709161428	-0.291964303494	-0.201642983297	-0.291212110393	-0.204977350212	-0.337216581657	0.000535622994733	0.838279250601	0.0450980209121	-0.183853120728	1.2070603695	0.0493131551666	0.630514329314	-10.3854798408	10.4627221779	-40.8753442851
27	0.122890959725	0.15138175646	0.0400931823177	0.241149062073	-0.0679338485344	0.195282746996	-0.216874461789	-0.221235898424	0.274884101398	-0.144904555631	0.272509200688	-0.1060912581	-0.182303439101	0.0328913038472	0.000129013817105	1.02483902906	0.00998294667159	-0.17384865587	0.711315309779	-0.120635845134	0.408741912556	-12.6584255473	4.90464246023	-31.0251814245
28	0.449806588712	-0.0331312004839	-0.34753533376	0.466199482754	0.17728930744	0.608187874436	0.120013111596	0.198428659292	0.0206210055374	-0.361944589932	-0.0657514945727	-0.0208392571535	-0.41376660652	-0.00697470301831	0.000251500017808	0.801087260315	0.0467442993041	-0.110372229875	0.408562801438	0.00683885762948	0.357126053167	-4.98042569763	16.2009114345	-13.5245973562
29	0.501587057525	0.197810451338	0.0273308770588	0.425904405027	0.0625782092366	0.368172909789	-0.077797426761	0.161065355624	-0.143242039036	-0.150341566494	0.0144118742581	-0.036016773601	-0.428032774204	0.10076068376	1.08492947166E-5	0.713210786901	-0.0472724768803	-0.0164764165603	0.455961936529	-0.0146257875743	0.323776946951	6.38492023363	13.3245379131	-9.22804235483
30	0.504146844649	0.337550910683	0.205083047126	0.247466475649	-0.00191929421762	0.303166322957	-0.127042441205	-0.108950988734	-0.322294073283	-0.241155332237	-0.00376068484727	0.0242033550614	-0.269227083622	-0.105068104661	-0.00350268279875	0.587136035117	0.123982091172	-0.22487378154	0.444533863753	-0.00867620662028	0.300758635124	-21.1597818225	5.88982339214	-8.592566523
31	0.347791060366	-0.185229388202	-0.0741223860988	0.0928146369546	-0.115516333251	0.345648762432	-0.0873304619911	0.0806033577619	-0.014554260576	-0.34486433366	0.0100680890247	0.150510251958	-0.103999695232	-0.158803308848	3.19230236666E-5	0.815867512085	0.0207000499655	-0.198784621369	0.576957351122	2.98029968712E-5	0.398245019836	-19.394637202	8.39761859594	-21.0307382273

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 12 through 44 )	A	A	12 - 44	1 - 33
2	2	chain 'A' and (resid 45 through 85 )	A	A	45 - 85	34 - 74
3	3	chain 'A' and (resid 86 through 238 )	A	A	86 - 238	75 - 227
4	4	chain 'A' and (resid 239 through 400 )	A	A	239 - 400	228 - 389
5	5	chain 'B' and (resid 12 through 35 )	B	D	12 - 35	1 - 24
6	6	chain 'B' and (resid 36 through 108 )	B	D	36 - 108	25 - 97
7	7	chain 'B' and (resid 109 through 238 )	B	D	109 - 238	98 - 227
8	8	chain 'B' and (resid 239 through 358 )	B	D	239 - 358	228 - 347
9	9	chain 'B' and (resid 359 through 400 )	B	D	359 - 400	348 - 389
10	10	chain 'C' and (resid 12 through 35 )	C	G	12 - 35	1 - 24
11	11	chain 'C' and (resid 36 through 238 )	C	G	36 - 238	25 - 227
12	12	chain 'C' and (resid 239 through 400 )	C	G	239 - 400	228 - 389
13	13	chain 'D' and (resid 12 through 46 )	D	J	12 - 46	1 - 35
14	14	chain 'D' and (resid 47 through 70 )	D	J	47 - 70	36 - 59
15	15	chain 'D' and (resid 71 through 163 )	D	J	71 - 163	60 - 152
16	16	chain 'D' and (resid 164 through 249 )	D	J	164 - 249	153 - 238
17	17	chain 'D' and (resid 250 through 382 )	D	J	250 - 382	239 - 371
18	18	chain 'D' and (resid 383 through 400 )	D	J	383 - 400	372 - 389
19	19	chain 'E' and (resid 12 through 46 )	E	M	12 - 46	1 - 35
20	20	chain 'E' and (resid 47 through 70 )	E	M	47 - 70	36 - 59
21	21	chain 'E' and (resid 71 through 238 )	E	M	71 - 238	60 - 227
22	22	chain 'E' and (resid 239 through 267 )	E	M	239 - 267	228 - 256
23	23	chain 'E' and (resid 268 through 380 )	E	M	268 - 380	257 - 369
24	24	chain 'E' and (resid 381 through 400 )	E	M	381 - 400	370 - 389
25	25	chain 'F' and (resid 12 through 35 )	F	P	12 - 35	1 - 24
26	26	chain 'F' and (resid 36 through 58 )	F	P	36 - 58	25 - 47
27	27	chain 'F' and (resid 59 through 79 )	F	P	59 - 79	48 - 68
28	28	chain 'F' and (resid 80 through 163 )	F	P	80 - 163	69 - 152
29	29	chain 'F' and (resid 164 through 238 )	F	P	164 - 238	153 - 227
30	30	chain 'F' and (resid 239 through 323 )	F	P	239 - 323	228 - 312
31	31	chain 'F' and (resid 324 through 400 )	F	P	324 - 400	313 - 389

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