PDB-9beb: Tungstate binding protein (Tungbindin) from Eubacterium limosum w...

ID or keywords:

Entry

Database: PDB / ID: 9beb

Title

Tungstate binding protein (Tungbindin) from Eubacterium limosum with eight Tungstates bound

Components

Molybdenum-pterin binding domain-containing protein

Keywords

METAL BINDING PROTEIN / Tungsten / metal binding / metal oxyanion / hexamer

Function / homology

Molybdenum-pterin binding domain / Mop domain profile. / Transport-associated OB, type 1 / TOBE domain / molybdate ion transport / Molybdate/tungstate binding, C-terminal / TUNGSTATE(VI)ION / Molybdenum-pterin-binding protein

Function and homology information

Biological species

Eubacterium limosum (bacteria)

Method

X-RAY DIFFRACTION /

SAD / Resolution: 1.85 Å

Authors

Zhou, D. / Rose, J.P. / Chen, L. / Wang, B.C.

Funding support

United States, 1items

Citation

Journal: Mbio / Year: 2025
Title: Storage of the vital metal tungsten in a dominant SCFA-producing human gut microbe Eubacterium limosum and implications for other gut microbes.
Authors: Shao, N. / Zhou, D. / Schut, G.J. / Poole, F.L. / Coffey, S.B. / Donaghy, A.P. / Putumbaka, S. / Thorgersen, M.P. / Chen, L. / Rose, J. / Wang, B.-.C. / Adams, M.W.W.

History

Deposition	Apr 15, 2024	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Sep 4, 2024	Provider: repository / Type: Initial release
Revision 1.1	Apr 9, 2025	Group: Database references / Structure summary / Category: citation / citation_author / pdbx_entry_details Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _pdbx_entry_details.has_protein_modification
Revision 1.2	Apr 23, 2025	Group: Database references / Category: citation / Item: _citation.journal_volume

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	9beb.cif.gz	288.5 KB	Display	PDBx/mmCIF format
PDB format	pdb9beb.ent.gz	195.6 KB	Display	PDB format
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Validation report

Summary document	9beb_validation.pdf.gz	3.3 MB	Display	wwPDB validaton report
Full document	9beb_full_validation.pdf.gz	3.3 MB	Display
Data in XML	9beb_validation.xml.gz	27.3 KB	Display
Data in CIF	9beb_validation.cif.gz	36.9 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/be/9beb ftp://data.pdbj.org/pub/pdb/validation_reports/be/9beb	HTTPS FTP

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Related structure data

Related structure data	9bedC 9belC 9bemC 9bjfC 9d2cC 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

Deposited unit

A: Molybdenum-pterin binding domain-containing protein

B: Molybdenum-pterin binding domain-containing protein

C: Molybdenum-pterin binding domain-containing protein

D: Molybdenum-pterin binding domain-containing protein

E: Molybdenum-pterin binding domain-containing protein

F: Molybdenum-pterin binding domain-containing protein

hetero molecules

51.3 kDa, 6 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)	74.816, 74.816, 156.312
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	96
Space group name H-M	P4₃2₁2
Space group name Hall	P4nw2abw
Symmetry operation	#1: x,y,z #2: -y+1/2,x+1/2,z+3/4 #3: y+1/2,-x+1/2,z+1/4 #4: x+1/2,-y+1/2,-z+1/4 #5: -x+1/2,y+1/2,-z+3/4 #6: -x,-y,z+1/2 #7: y,x,-z #8: -y,-x,-z+1/2

Components on special symmetry positions

ID	Model	Components
1	1	B-267- HOH

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID
1	1
2	1
3	1
4	1
5	1
6	1

NCS domain segments:

Ens-ID: 1 / Beg auth comp-ID: MET / Beg label comp-ID: MET / End auth comp-ID: ILE / End label comp-ID: ILE / Auth seq-ID: 1 - 68 / Label seq-ID: 1 - 68

Dom-ID	Component-ID	Selection details	Auth asym-ID	Label asym-ID
1	1	(chain 'A' and resid 1 through 69)	A	A
2	2	chain 'B'	B	B
3	3	(chain 'C' and resid 1 through 69)	C	C
4	4	chain 'D'	D	D
5	5	(chain 'E' and resid 1 through 69)	E	E
6	6	chain 'F'	F	F

#1: Protein	Molybdenum-pterin binding domain-containing protein / Molybdopterin-binding protein / Tungstate binding protein / Tungbindin Mass: 8224.404 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Eubacterium limosum (bacteria) / Gene: C7955_103236, SAMN04515624_10415 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A0U3FVB3
#2: Chemical	ChemComp-WO4 / TUNGSTATE(VI)ION Mass: 247.838 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: WO₄ / Feature type: SUBJECT OF INVESTIGATION
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 464 / 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: 2.22 Å³/Da / Density % sol: 44.5 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 0.1 M Magnesium acetate, 0.1 M Sodium cacodylate pH 6.5, 15%(w/v) PEG 6000

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: ROTATING ANODE / Type: RIGAKU MICROMAX-002 / Wavelength: 1.5418 Å
Detector	Type: DECTRIS PILATUS 200K / Detector: PIXEL / Date: Nov 21, 2023
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.5418 Å / Relative weight: 1
Reflection	Resolution: 1.846→39.08 Å / Num. obs: 67407 / % possible obs: 92.48 % / Redundancy: 18.3 % / B_iso Wilson estimate: 16.76 Å² / R_merge(I) obs: 0.081 / R_rim(I) all: 0.092 / Net I/σ(I): 42.92
Reflection shell	Resolution: 1.846→1.88 Å / Redundancy: 3.4 % / R_merge(I) obs: 0.207 / Mean I/σ(I) obs: 3.68 / Num. unique obs: 1258 / CC_1/2: 0.945 / CC star: 0.986 / R_pim(I) all: 0.149 / R_rim(I) all: 0.297 / % possible all: 66.1

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Processing

Software

Name	Version	Classification
PHENIX	1.21	model building
PHENIX	1.21	refinement
HKL-3000		data reduction
HKL-3000		data scaling
PHENIX	1.21	phasing

Refinement

Method to determine structure:

SAD / Resolution: 1.85→39.08 Å / SU ML: 0.1734 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 18.4294
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.1874	3650	5.41 %
R_work	0.1608	63757	-
obs	0.1622	67407	92.63 %

Solvent computation

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

Displacement parameters

B_iso mean: 23.01 Å²

Refinement step

Cycle: LAST / Resolution: 1.85→39.08 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	2984	0	40	464	3488

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0143	3018
X-RAY DIFFRACTION	f_angle_d	1.6766	4058
X-RAY DIFFRACTION	f_chiral_restr	0.0784	516
X-RAY DIFFRACTION	f_plane_restr	0.0076	506
X-RAY DIFFRACTION	f_dihedral_angle_d	5.9214	430

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 (%)
1.85-1.87	0.2373	75	0.2248	1312	X-RAY DIFFRACTION	49.68
1.87-1.9	0.2921	100	0.3117	1692	X-RAY DIFFRACTION	64.41
1.9-1.92	0.2632	113	0.2028	2005	X-RAY DIFFRACTION	74.13
1.92-1.95	0.2424	121	0.2019	2132	X-RAY DIFFRACTION	82.29
1.95-1.98	0.2156	136	0.1692	2318	X-RAY DIFFRACTION	88.24
1.98-2.02	0.1934	137	0.1362	2473	X-RAY DIFFRACTION	91.87
2.02-2.05	0.1581	151	0.1388	2545	X-RAY DIFFRACTION	96.94
2.05-2.09	0.1883	145	0.1459	2619	X-RAY DIFFRACTION	98.57
2.09-2.13	0.2007	153	0.1581	2631	X-RAY DIFFRACTION	100
2.13-2.17	0.1908	152	0.1551	2667	X-RAY DIFFRACTION	100
2.17-2.22	0.24	131	0.2521	2274	X-RAY DIFFRACTION	85.83
2.22-2.27	0.2794	150	0.2605	2632	X-RAY DIFFRACTION	99.71
2.27-2.33	0.27	131	0.2413	2244	X-RAY DIFFRACTION	84.94
2.33-2.39	0.2419	149	0.157	2649	X-RAY DIFFRACTION	99.71
2.39-2.46	0.1919	147	0.1496	2641	X-RAY DIFFRACTION	99.93
2.46-2.54	0.1754	150	0.1373	2633	X-RAY DIFFRACTION	99.96
2.54-2.63	0.1884	149	0.1395	2658	X-RAY DIFFRACTION	99.75
2.63-2.73	0.1815	150	0.1492	2648	X-RAY DIFFRACTION	99.86
2.73-2.86	0.1893	157	0.1466	2642	X-RAY DIFFRACTION	99.61
2.86-3.01	0.1706	146	0.1488	2633	X-RAY DIFFRACTION	99.82
3.01-3.2	0.1529	154	0.1544	2633	X-RAY DIFFRACTION	99.71
3.2-3.45	0.1966	145	0.1549	2612	X-RAY DIFFRACTION	98.68
3.45-3.79	0.1574	154	0.1519	2574	X-RAY DIFFRACTION	97.15
3.79-4.34	0.1418	152	0.1213	2599	X-RAY DIFFRACTION	98.46
4.34-5.46	0.1388	153	0.1297	2644	X-RAY DIFFRACTION	99.75
5.47-39.08	0.1955	149	0.1833	2647	X-RAY DIFFRACTION	99.57

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	0.324559672079	-0.168111533955	0.244347599139	0.149666598502	-0.150168810763	0.191321324447	0.0213083970163	0.114636519936	-0.0627000667701	-0.163510981031	0.0213655544302	-0.076759319939	-0.119239150598	-0.0737988221731	-0.00122949735032	0.193309715641	0.0204225531169	0.0336819980612	0.222879249247	0.0203845742112	0.14431468025	25.9967089901	-9.602712605	-5.65926019642
2	0.107488307311	0.0114550141831	0.0286811082958	0.312320277504	-0.25291491056	0.197666130085	0.0421181375652	0.168114714862	-0.0946999354198	-0.173139436065	-0.109218205289	0.0124987261482	0.179466899928	0.0291973667541	-0.0967624951946	0.155714251338	0.0160217837894	-0.00509150195001	0.24572571439	-0.0386507390392	0.115372995269	14.1533282219	-23.0701901829	-7.28534231989
3	0.271594204996	-0.040757864732	-0.118146520543	0.24923496722	-0.0114847156581	0.0804297820564	0.154569012918	0.0325033500929	-0.0674823876702	-0.123808772593	0.0109470071455	0.00798891850259	0.239662194453	0.039942207271	0.0452220378379	0.179426503346	0.0755266360113	-0.026247341842	0.251035683963	-0.0438188622139	0.12565163011	13.19008603	-24.7874882994	-3.96570559454
4	0.0315758352859	0.026343550129	0.0173312454997	0.0199212468427	0.0245774791142	0.0188814040166	0.00534058789004	0.141944932896	-0.186145185556	-0.0954193225093	0.0294707636903	0.0696834888644	0.0858468496861	-0.199400134139	-0.000110593869735	0.152761304706	0.0286581245207	-0.0273574839807	0.218406456064	-0.0205275115655	0.113849915025	9.2184242825	-17.8885095413	-3.25520133136
5	0.246492640432	0.00436669613851	-0.0173384620911	0.0305868084839	-0.036534017377	0.0710699399716	-0.0687849625162	0.20905573791	-0.00167858074868	-0.0713833944838	-0.0710203953043	-0.065904879086	0.141560242314	0.0543108233417	-0.109296080788	0.106229847481	0.0373388123321	0.0217964295336	0.213172031349	-0.0211225417085	0.116359314142	20.6788884554	-21.7633900472	-2.37695300187
6	0.00487786303188	0.0064670166987	-0.00197223902428	0.0129496824587	-0.000673051483559	0.00140587499759	-0.0771469512039	0.0438432778959	-0.103799608545	0.0815982119604	0.0138406914882	-0.0690685699782	0.097482802112	0.0120479774164	-0.00298072634012	0.152191920699	-0.0149768763996	0.0256322410268	0.208019494087	-0.0177344106904	0.204626394894	18.8113021374	-30.6442493006	9.239875496
7	0.0196119599481	-0.0280660712974	0.015883292969	0.0382655813232	-0.0183056026505	0.017927939921	-0.0748764564572	0.0827545835319	-0.0303379542009	-0.0223902647373	0.0344361381304	-0.0204593074218	0.0872674552076	0.0657888196694	-0.0326619032488	0.140885787169	0.07750702464	0.0467055051021	0.217862328988	0.00813815839198	0.168366106407	33.8608425251	-25.1325740811	1.32014029376
8	0.0348812312087	-0.016381174094	0.000899329795177	0.0292049185011	-0.0204668602378	0.0167038816317	0.0257830003313	0.0447792584956	-0.0302977014606	-0.143377099984	-0.112394314258	-0.0515717482617	-0.0242162360256	0.0417423124945	-0.0702896683035	0.12628729038	0.0489794598943	0.0253886562838	0.223512608543	-0.00421072216312	0.120293501054	33.8509448756	-21.4427222212	0.57992874251
9	0.141041408645	0.117690522629	0.134932937906	0.30013825568	0.00739174767149	0.224666727681	-0.194632262447	-0.0372801901051	-0.082588482135	-0.122365780701	-0.0335947812977	-0.1527647277	0.098785716185	0.172851115522	-0.0695836907699	0.104570913563	0.0596935358262	0.0260424599427	0.239876431144	0.022155205932	0.127413490833	34.8955545941	-21.2560175837	8.16247141206
10	0.067277139105	-0.00253076730872	-0.0558543562197	0.0184163292518	0.01834087562	0.0658908982695	-0.01172842166	-0.00573427377292	0.0345843502234	-0.0163217794684	0.00663658379071	-0.0183618689817	0.0206940038065	0.0559529340961	-0.00417643161485	0.0299238298357	0.378325594399	0.156700217104	0.243164626773	0.0399678560394	0.146321198337	39.8577177062	-28.7323119572	5.53172817688
11	0.0870051252116	0.0983516121974	0.0262571830656	0.21141355368	-0.0505549087595	0.128646859194	-0.0174558076141	0.177464884985	-0.0224094023823	-0.0957209255737	0.0261230617358	0.0476688119344	0.170531007338	0.0310342833127	-0.000569871929893	0.129399382858	0.0461488869456	0.0155869161283	0.210800441309	0.000856866788398	0.111562622539	21.1236460661	-21.8727889261	-0.286100738413
12	0.00428002552134	0.00668217570509	0.000861799573576	0.0233086959878	0.0211051815568	0.0240753355593	-0.00750389391281	-0.0310703298841	-0.00338668170131	-0.021379226925	-0.144240963207	-0.0229052030061	0.0320913951949	0.0890759962915	-0.00226858068142	0.1283974318	0.0412234357926	0.0272510295305	0.222866568153	0.019862651666	0.177250297386	29.0184517092	-27.1695045959	13.2694425345
13	0.13292523146	0.0611745543955	-0.0250221746186	0.070618702932	-0.0179654158417	0.0337223491627	0.031741422881	-0.0348139822795	-0.1620613219	-0.0613514784384	-0.0676147346367	0.0575085033209	0.0687858364194	-0.0281305480426	-0.0441607483129	0.114699304821	0.00153656385956	0.0124121584265	0.154253390523	0.0316464965382	0.157168052893	12.4645357053	-27.0322877576	20.2305229114
14	0.0382736290698	0.00129861553394	-0.0118032123839	0.035240750136	-0.0262707210059	0.0103820068365	-0.121257806753	-0.0609835170722	-0.0121599603729	0.0403512121038	0.0245184497192	0.0543560111487	-0.0304303776392	0.0423876483105	4.00223168072E-5	0.0981332893145	-0.00878775381543	0.0156339181609	0.179259299772	-0.00485817402937	0.12370740028	10.253834758	-24.2454705253	18.7104313297
15	0.0461470386314	0.0145084465876	-0.0373407394227	0.0096196365116	-0.0156167886882	0.0315177471162	-0.0188966987036	0.00345934730422	-0.0452237821778	-0.0199515067506	-0.0986110213049	0.0151833327184	0.0310775574646	0.0949744031185	-0.00327245436745	0.107490352827	0.0086327649826	0.00643208411413	0.100548454803	0.0151368197525	0.113989611821	10.8466548395	-26.6088374399	13.5803932118
16	0.148165315236	0.0189647809303	0.0869925685758	0.0355319692047	-0.0372195440288	0.123394511383	-0.0624340465983	-0.0175377608346	-0.0264270876606	-0.0396113811983	0.0241572405996	0.108983895054	0.0172049691384	0.0292253469031	-0.0722183911299	0.0750885840813	0.0203568678915	0.0216027122965	0.124545904849	0.0121814704081	0.132325091817	18.1896640443	-21.2223117103	19.2501778827
17	0.000194056343753	6.54015808321E-5	0.00114670262825	0.0112552664457	0.00584187891612	0.00257544250246	0.0494543355367	0.00373328828222	-0.0414814283316	-0.0600940531335	-0.0432629920261	0.0583673268556	-0.0838726663735	-0.0540097401807	5.21919829209E-5	0.109577770395	0.0209235970744	-0.00317308655217	0.166519463839	-0.00614817735365	0.135396268664	11.0983570076	-8.06210627741	19.9987750056
18	0.0128595243151	-0.0179061507651	0.00355392527485	0.0173877340833	0.0199703137022	0.0283656258182	-0.0581458254087	0.0194147701671	-0.122058247219	0.025356024952	0.0376350869327	-0.0534014301292	-0.0607342931236	-0.00896409690557	6.8298469867E-6	0.0695166414854	0.0192101850322	0.00645555784411	0.147345067265	0.00113167604653	0.127656788939	27.4825626287	-12.4916367246	25.4808204552
19	0.0218793022994	0.0127352460651	0.00392117695028	-0.00315538735784	-0.0046319871623	-0.00384557736809	-0.0262256247824	-0.0915077188453	0.0374735823224	-0.0238804614013	-0.00078868906535	0.0185948889056	0.0767978605778	0.0552105418548	-6.36410575286E-5	0.103050284791	-0.0123256446473	0.00214794889963	0.169102547046	0.00439152874638	0.107509072304	29.8129554321	-13.7376348146	22.4298824071
20	0.0230750387218	-0.00136146315196	0.0255762411204	0.0171693518052	0.0315317616779	0.0568076849999	-0.0380930632597	-0.0343218198469	-0.00999046102041	0.0333308819222	0.0426394830301	-0.0572949287474	-0.0328879734945	-0.0499975186599	-5.22765046305E-5	0.0861249919312	0.00754471895065	-0.0120996384766	0.142018433794	0.0248229524711	0.15317255127	29.2455487036	-8.71530544659	19.9264638339
21	0.0356170144845	0.0323956522864	-0.0576944303933	0.0506996522749	0.000366901567298	0.0869040179291	-0.0301884828558	-0.0516015615128	0.0152391694837	0.0248673318493	-0.0257582841025	0.0437017601612	-0.0238871255634	-0.025029846543	-0.000201275814456	0.081490825106	0.0134400207849	-0.00806906111983	0.117427723365	0.00426166692943	0.094643004939	21.8621989757	-15.25127361	21.2885937234
22	0.00309646532957	-0.00711878660994	0.00333487661464	0.012659112363	-0.00371712918979	0.00523264828229	-0.0504049697947	0.0572865277975	0.00211479353812	-0.160723362251	-0.0240244232661	0.0171663129974	-0.0102789352431	0.0257978732514	0.00124230950044	0.117855013712	0.0280180730058	-0.016818317712	0.23616845185	0.020860278027	0.151284211988	14.3627666045	-10.001922443	-6.06697567733
23	0.0458177992964	0.0147108967643	-0.0326793148313	0.0138956855835	0.019233128151	0.0546410382525	0.16421174041	-0.0357517024033	0.12982659237	0.00176558424408	-0.03882621496	-0.0327430785334	-0.25445349939	-0.0652957056284	0.0250751234378	0.177012566011	0.012009514582	0.0344525455268	0.200811864853	0.0659176735308	0.205447744779	25.9952384493	1.50629728717	1.21660979344
24	0.0240594912835	0.0172284463526	-0.00314735543938	0.0252899916452	0.0076726003255	0.0374139080307	0.0319244227624	0.0264073169953	0.0543851076267	0.0604106049557	0.0187588764892	-0.0196313578876	-0.296599696164	0.0430767792537	0.00378571305986	0.199911237142	0.0446855718382	0.0473180578198	0.140401939613	0.0555255057685	0.166095285684	27.7052508538	0.180113549556	4.62736098127
25	0.0406085384561	0.0395368997886	0.00638234773115	0.0327785423532	-0.00914013056831	0.0140680959392	0.0726862228789	-0.0372448292127	0.0907758366034	0.00233801485225	-0.0818716608314	0.00818705085506	-0.201262558697	0.081082480319	8.82156104924E-5	0.113663997959	0.0228306479567	0.0338598390617	0.172070760818	0.0169452222878	0.126642009416	29.9655824821	-4.0658281164	1.74849197181
26	0.00209389811613	-0.000271300563299	-0.0033428768881	0.00206347745507	0.00121963530572	0.000334438597036	0.0281280755991	0.0269420634163	0.0133981247815	-0.00586320571872	0.0296271209319	-0.00111260675554	-0.00682441104583	0.0614457136582	-3.88369451106E-5	0.258813550563	-0.042258985788	0.0574830796582	0.18705177244	0.0326811295105	0.181964646502	31.8125113901	2.3876961197	-4.54787057401
27	0.130660926044	-0.0169015192513	0.0801192362977	0.0743667888318	-0.0179117887052	0.123107372208	-0.0413609590038	-0.0254472646923	0.0619487171191	0.0110967185218	-0.123294217063	-0.0420372726527	-0.0704936910708	-0.0413203111618	-0.11288408661	0.11049254743	0.0397554503721	-0.000884351058292	0.136512076565	-0.00271336889441	0.131073342485	14.2046795917	-3.52747651918	9.19874179128
28	0.00916353556138	-0.00969479846745	-0.00475810375121	0.0052009742852	-0.00328216805167	0.014061982414	-0.0115972226865	0.0660508294059	0.0639391229396	0.148133445937	0.0300489251582	0.00840641466958	-0.0615680911823	0.0605961291846	0.000125151668777	0.147202492379	0.0107818165863	-0.00218015330869	0.157124711219	0.0116740842848	0.155731178241	21.033754154	-2.83701061535	19.4530806312
29	0.0218963486664	-0.0077994156759	-0.0419529072187	0.0457688419706	-0.03209718948	0.133907476483	0.0131542256918	0.0786227906899	-0.0892976390292	0.0302890420759	0.00700185663007	0.0242839188537	-0.162036011994	-0.120394356965	-0.0106677024235	0.125292970924	0.0574678545589	-0.00395954328105	0.203744684424	0.0328651073545	0.159730113444	6.39366692661	-2.09141082835	9.4362833226
30	0.018965583214	-0.00254066195728	-0.00125646530155	0.00414481177451	0.0159100128246	0.0295947524838	0.00157192627161	0.0141872115476	0.0772002144618	-0.125534521294	-0.120167399756	-0.028185680346	-0.086039354766	-0.14548004502	-0.0221674058177	0.132188678677	0.0480109085403	-0.0162793322009	0.185679321686	0.0207358090774	0.182091397236	5.89543521844	-5.29869587332	7.01788612861
31	0.071835992085	0.012050175293	-0.122646411354	0.0968355683948	0.00445792656709	0.312158231051	-0.00915730729228	0.125621820255	0.0567745272762	-0.0513214634948	-0.104874952024	0.149154177658	0.0313375504138	-0.0678458871136	-0.0557551802044	0.11047130966	0.0434500405481	0.0195293501267	0.162433632269	0.0291810413271	0.17628630929	5.8387975475	-8.48883045353	11.4979696776
32	0.00446897761411	-0.00845389307745	0.00480552269337	0.00996991098713	-0.0103683641697	0.00947058967888	-0.0554741920445	0.0419841444971	0.102798282115	0.0310582491027	-0.0463349094957	0.0873341642354	-0.00136778837648	-0.0592693770606	-3.17667663588E-5	0.115358268356	0.0498894306617	0.0165269262908	0.226428987969	0.00533375703845	0.203748746371	0.403819903702	-1.77881831489	14.8935825922
33	0.0136976683661	-0.001710165442	0.0016571263155	0.126927019624	-0.00430963550504	0.0696680264823	-0.0288648503721	-0.0237900646541	0.1413932793	-0.153520411511	0.0148278197771	0.043036598111	-0.161366875707	0.0909122840005	-0.0170593819975	0.0977366008437	0.0451388529691	-0.00775018671612	0.117885502764	0.0354608599321	0.147347550862	19.0276832839	-3.78512458799	6.07325293091

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 1 through 6 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 7 through 18 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 19 through 33 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 34 through 46 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 47 through 70 )
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 1 through 6 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 7 through 18 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 19 through 33 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 34 through 46 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 47 through 53 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 54 through 69 )
12	X-RAY DIFFRACTION	12	chain 'C' and (resid 1 through 6 )
13	X-RAY DIFFRACTION	13	chain 'C' and (resid 7 through 18 )
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 19 through 32 )
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 33 through 46 )
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 47 through 70 )
17	X-RAY DIFFRACTION	17	chain 'D' and (resid 1 through 6 )
18	X-RAY DIFFRACTION	18	chain 'D' and (resid 7 through 18 )
19	X-RAY DIFFRACTION	19	chain 'D' and (resid 19 through 32 )
20	X-RAY DIFFRACTION	20	chain 'D' and (resid 33 through 46 )
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 47 through 69 )
22	X-RAY DIFFRACTION	22	chain 'E' and (resid 1 through 6 )
23	X-RAY DIFFRACTION	23	chain 'E' and (resid 7 through 18 )
24	X-RAY DIFFRACTION	24	chain 'E' and (resid 19 through 32 )
25	X-RAY DIFFRACTION	25	chain 'E' and (resid 33 through 46 )
26	X-RAY DIFFRACTION	26	chain 'E' and (resid 47 through 53 )
27	X-RAY DIFFRACTION	27	chain 'E' and (resid 54 through 71 )
28	X-RAY DIFFRACTION	28	chain 'F' and (resid 1 through 6 )
29	X-RAY DIFFRACTION	29	chain 'F' and (resid 7 through 18 )
30	X-RAY DIFFRACTION	30	chain 'F' and (resid 19 through 32 )
31	X-RAY DIFFRACTION	31	chain 'F' and (resid 33 through 46 )
32	X-RAY DIFFRACTION	32	chain 'F' and (resid 47 through 53 )
33	X-RAY DIFFRACTION	33	chain 'F' and (resid 54 through 69 )

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