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- PDB-7ucw: Structure of mouse Decr1 in complex with 2'-5' oligoadenylate -

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Open data

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Basic information

Entry

Database: PDB / ID: 7ucw

Title

Structure of mouse Decr1 in complex with 2'-5' oligoadenylate

Components

Decr1 protein

Keywords

OXIDOREDUCTASE / immunity

Function / homology

Function and homology information

2,4-dienoyl-CoA reductase [(3E)-enoyl-CoA-producing] / 2,4-dienoyl-CoA reductase (NADPH) activity / fatty acid beta-oxidation / catalytic complex / NADPH binding / mitochondrion / nucleoplasm / identical protein binding / cytosol
Similarity search - Function

Biological species

Mus musculus (house mouse)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.35 Å

Authors

Govande, A.A. / Kranzusch, P.J.

Funding support

United States, 1items

Citation

Journal: J.Gen.Virol. / Year: 2023
Title: RNase L-activating 2'-5' oligoadenylates bind ABCF1, ABCF3 and Decr-1.
Authors: Govande, A.A. / Babnis, A.W. / Urban, C. / Habjan, M. / Hartmann, R. / Kranzusch, P.J. / Pichlmair, A.

History

Deposition	Mar 17, 2022	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Mar 22, 2023	Provider: repository / Type: Initial release
Revision 1.1	Sep 13, 2023	Group: Data collection / Database references Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / citation / reflns Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _reflns.percent_possible_obs
Revision 1.2	Oct 25, 2023	Group: Refinement description / Category: pdbx_initial_refinement_model

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Structure visualization

Structure viewer	Molecule: MolmilJmol/JSmol

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Downloads & links

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Download

PDBx/mmCIF format	7ucw.cif.gz	780.5 KB	Display	PDBx/mmCIF format
PDB format	pdb7ucw.ent.gz	539.7 KB	Display	PDB format
PDBx/mmJSON format	7ucw.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	7ucw_validation.pdf.gz	2.3 MB	Display	wwPDB validaton report
Full document	7ucw_full_validation.pdf.gz	2.3 MB	Display
Data in XML	7ucw_validation.xml.gz	53.5 KB	Display
Data in CIF	7ucw_validation.cif.gz	76 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/uc/7ucw ftp://data.pdbj.org/pub/pdb/validation_reports/uc/7ucw	HTTPS FTP

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Related structure data

Related structure data	1w6uS S: Starting model for refinement
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	#90 - Jun 2007 Fatty Acid Synthase similarity (1) #77 - May 2006 Glucose Oxidase similarity (1)

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Assembly

Deposited unit

A: Decr1 protein

B: Decr1 protein

C: Decr1 protein

D: Decr1 protein

hetero molecules

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

Idetical with deposited unit
defined by author&software
Evidence: gel filtration

Unit cell

Length a, b, c (Å)	82.379, 117.191, 232.248
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	20
Space group name H-M	C222₁
Space group name Hall	C2c2

Components on special symmetry positions

ID	Model	Components
1	1	D-725- HOH

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Components

#1: Protein	Decr1 protein Mass: 32489.334 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Gene: Decr1 / Production host: Escherichia coli (E. coli) / References: UniProt: Q4FJK0
#2: Chemical	ChemComp-25L / [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate / 2'-5'-oligoadenylate trimer Mass: 1165.593 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₃₀H₄₀N₁₅O₂₅P₅ / Feature type: SUBJECT OF INVESTIGATION
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 954 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	Y

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Experimental details

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.16 Å³/Da / Density % sol: 42.97 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion, hanging drop / Details: 34% PEG-300, 100 mM Tris-HCl pH 8.6

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Data collection

Diffraction	Mean temperature: 80 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 24-ID-E / Wavelength: 0.97918 Å
Detector	Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Mar 16, 2018
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97918 Å / Relative weight: 1
Reflection	Resolution: 1.35→67.39 Å / Num. obs: 244100 / % possible obs: 99.8 % / Redundancy: 6.8 % / B_iso Wilson estimate: 17.7 Å² / CC_1/2: 0.998 / R_pim(I) all: 0.031 / Net I/σ(I): 10.6
Reflection shell	Resolution: 1.35→1.37 Å / Mean I/σ(I) obs: 1.2 / Num. unique obs: 11679 / CC_1/2: 0.525 / R_pim(I) all: 0.559

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Processing

Software

Name	Version	Classification
PHENIX	1.19.2_4158	refinement
PDB_EXTRACT	3.27	data extraction
XDS		data reduction
Aimless		data scaling
AutoSol		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 1W6U

1w6u

Resolution: 1.35→67.39 Å / SU ML: 0.1344 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 16.4363
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.1598	2000	0.82 %
R_work	0.1512	241889	-
obs	0.1512	243889	99.74 %

Solvent computation

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

Displacement parameters

B_iso mean: 25.27 Å²

Refinement step

Cycle: LAST / Resolution: 1.35→67.39 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	8465	0	300	954	9719

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0083	8987
X-RAY DIFFRACTION	f_angle_d	1.0843	12228
X-RAY DIFFRACTION	f_chiral_restr	0.0778	1385
X-RAY DIFFRACTION	f_plane_restr	0.0098	1515
X-RAY DIFFRACTION	f_dihedral_angle_d	14.5099	3207

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 (%)
1.35-1.38	0.2813	138	0.2705	16746	X-RAY DIFFRACTION	97.84
1.38-1.42	0.2258	143	0.2429	17149	X-RAY DIFFRACTION	99.58
1.42-1.46	0.2186	142	0.2224	17179	X-RAY DIFFRACTION	99.84
1.46-1.51	0.2195	141	0.2048	17131	X-RAY DIFFRACTION	99.88
1.51-1.56	0.2263	143	0.2021	17249	X-RAY DIFFRACTION	99.91
1.56-1.63	0.1798	143	0.1743	17266	X-RAY DIFFRACTION	99.91
1.63-1.7	0.1594	142	0.1569	17228	X-RAY DIFFRACTION	99.91
1.7-1.79	0.1695	143	0.1485	17255	X-RAY DIFFRACTION	99.92
1.79-1.9	0.1585	142	0.1518	17239	X-RAY DIFFRACTION	99.97
1.9-2.05	0.1333	143	0.1348	17355	X-RAY DIFFRACTION	99.98
2.05-2.26	0.1413	143	0.1272	17313	X-RAY DIFFRACTION	99.93
2.26-2.58	0.1268	144	0.1264	17401	X-RAY DIFFRACTION	99.89
2.58-3.25	0.151	146	0.1437	17502	X-RAY DIFFRACTION	99.97
3.25-67.39	0.1655	147	0.1517	17876	X-RAY DIFFRACTION	99.82

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	1.03492149238	-0.265512646857	-0.181439290401	0.662706674965	-0.199108527104	0.136810398148	0.0474667833264	-0.0206145960366	0.130642178049	0.05674207512	-0.102368582403	-0.22796730725	-0.165352049191	0.255999087139	0.0300238742142	0.166054190447	-0.0277454041564	-0.00916258520758	0.210365879517	0.0102693229189	0.22817588315	0.92222038146	-4.9694043814	25.6863815147
2	0.32937817338	-0.0651747343137	-0.031686049087	0.19874478311	0.00165990329376	0.000782396356901	0.00139128935169	-0.0112698703906	0.00810463609653	0.0141711139025	-0.0178946677382	-0.0722852075805	-0.0545758450197	0.0318440932849	-0.0715129368593	0.156670194473	-0.0108385484756	0.012327148644	0.163112251897	0.0140291941459	0.166093776222	-12.7299838281	3.99606775576	18.8696023658
3	0.734004736552	-0.803300629222	-0.230663549952	0.822200541957	0.27332281293	1.09707857217	0.0592202914663	0.0411765729875	0.226000168475	-0.059906794568	0.00896200909933	0.0227000372816	-0.201235853225	-0.0483819005957	-0.192629889081	0.18231856941	-0.0048887044777	0.0195908825894	0.129013611407	0.0136430550082	0.179359088297	-20.2970683068	10.541410527	17.6563181589
4	-0.0544445871842	0.146834481248	-0.165823505149	0.41045973793	-0.337314070434	0.175231628515	0.050545435143	-0.0101590901827	0.0639222299619	0.110310662315	-0.041269657537	0.00535229816485	-0.287395281168	0.0358181263592	-0.135542789064	0.197645178633	0.00430490061584	0.0197904844357	0.172446582212	0.000749000427881	0.146954670427	-23.9623758319	-1.40202160836	29.6629971729
5	0.375705442339	0.114660262096	0.269108708625	0.675512760682	-0.266321169629	0.340469242341	-0.0491410790253	0.0100267684476	0.0837251703593	0.0229953047822	0.0295530374894	0.162185729927	-0.248062623664	-0.315276742657	-0.1315029126	0.178041566666	0.0252517770211	0.0185804745057	0.172545955113	0.0149890317794	0.157518171534	-30.7668994876	-1.74620694127	21.7512592246
6	0.27186085736	0.288460429553	-0.125024435954	0.497585629362	0.0567896377655	0.200804382654	-0.00119397569204	-0.0323344962018	0.0470519617716	-0.0328908164222	-0.00137645194023	-0.0114501372514	-0.122016475415	0.0885329848772	-0.0459370010737	0.148433748239	0.0167520161893	0.010949765601	0.160664563037	0.00531535811678	0.130892178555	-20.7316080579	-8.95978821984	25.5467411624
7	0.190120706888	-0.149200978746	0.0354528403343	0.239044335405	0.0262718573978	0.221765492206	0.0566543919917	-0.0394510810933	0.037216263943	-0.0419398296637	0.0318973028992	0.0354488153839	-0.0546521058818	-0.0259273554188	0.0777754614805	0.153916634488	-0.000638612998995	0.00870995123358	0.154703715963	0.00395404846204	0.13183977713	-26.2428412147	-11.4097398988	24.5970255698
8	0.521015676703	-0.151367604465	0.143527477261	0.436389445313	-0.329977264723	0.598407033926	-0.018185825045	-0.0684126211139	0.0435823894062	0.00719458183357	0.00251756999858	-0.0342929302301	-0.0264773738766	-0.00599336646118	0.0822691086424	0.143063316363	0.00650958619218	0.0127433949466	0.171345524413	0.00351972713455	0.146144161364	-11.4821856842	-10.834911229	26.1088423216
9	0.457390715324	0.158453311475	-0.031776468413	0.741526823429	-0.110256864994	0.0273822132037	-0.133994657363	-0.314655478907	0.20495281815	0.513746398513	0.080818013126	-0.155654994526	0.0948023513731	0.419576429802	0.012697045378	0.355048116876	0.0781044447717	-0.0648678786229	0.464692870247	-0.0047437790834	0.213908898888	1.36582720843	-27.4330460613	49.1076069616
10	0.833899446852	-0.141391196513	0.121980110211	0.778872297212	0.510053580672	0.646072829495	-0.00433679879892	-0.180015883455	-0.197900241678	0.318532702692	0.0684440714362	0.00703097086685	0.160251933226	0.00523038868577	0.0368955461554	0.249304464476	0.00761637777599	0.0506200409309	0.200330856946	0.0545402980003	0.176771702416	-32.3318370195	-35.7279735183	50.52383711
11	0.0758097601291	0.0512474051638	-0.120284657756	0.21907684692	-0.049148009828	0.191443553389	-0.0399923105329	-0.0266392448508	-0.153221034307	0.0180768666675	0.00891340726469	0.08243982635	0.156717785842	-0.052847334508	0.0347670408567	0.243543900541	0.0164935347851	0.0445103487079	0.169267302157	0.0439766254095	0.230718908777	-25.8492477993	-49.5209359649	41.9123962207
12	0.186813518175	0.0674508860894	0.036079257985	0.164436139591	0.124204352257	0.128690046586	-0.174838979971	-0.305384499891	-0.609521969336	0.107568574067	0.0628734900896	0.032885557487	0.261080582925	0.0573959278915	2.86867524023E-5	0.316418321064	0.0598222561674	0.0729750431249	0.234851708334	0.123808648707	0.322972516461	-22.5894802351	-56.1203951085	45.4003997467
13	0.161704502655	-0.0624784967528	-0.0137634121831	0.406949003287	0.165022539947	0.242775655519	-0.0501442001432	-0.0809153480863	-0.328730157008	0.0320090729517	0.0288810627881	0.0463113851703	0.303387708097	0.15906382004	0.110477441623	0.343576424604	0.0614141553325	0.0523559360336	0.182689455767	0.0451272341167	0.344450566242	-17.7382060975	-58.2171320462	33.8307236693
14	0.35754271125	0.211045601076	-0.111444270196	0.471495948624	-0.144715260341	0.380011321093	0.0563817203621	-0.0995862165774	-0.232352153288	0.13289141858	-0.0641166455937	-0.071064403095	0.155743533172	0.0848542598928	-0.292831736404	0.201519264269	0.0442554165012	0.00998189158149	0.188577367833	0.0336751517791	0.213131406946	-11.8700603054	-42.1892953041	37.1392989699
15	0.106177035715	-0.102016073361	-0.0731833562331	0.351177317626	0.0562881946407	0.269978356235	-0.0311509951512	0.1683935182	-0.369410652958	-0.110557756229	0.0731536213168	-0.257376485496	0.207303059765	0.202174151829	-0.090912820415	0.252164549065	0.0451983823955	0.0263118911674	0.174061473149	0.0131544121334	0.253568739772	-12.7687478441	-47.3735691414	28.1061212661
16	0.32695419942	-0.199331508733	-0.0771745224183	0.284745383266	-0.178335555266	0.300095886958	0.00109183888347	-0.0643329516126	-0.0727485981647	0.0393889914819	-0.0182947682196	0.0265670735664	0.137917441062	0.0665280610775	0.00675761931617	0.166372069037	0.0260125474577	0.0174958448045	0.166671214535	0.00961839433881	0.163090522179	-18.599857021	-37.2052700576	33.4792946192
17	0.170399859196	-0.0449530405103	-0.0923487259862	0.0949305296277	0.0457818601917	0.176005136112	0.0181951174869	-0.0731944551428	-0.19259783792	-0.0264995948725	-0.00332193044198	-0.0463499184189	0.144647985057	0.0694923211795	-0.0645398534672	0.17716341604	0.0236233057152	0.0138426248503	0.163123891989	0.016518749455	0.166034179889	-15.9766569738	-36.7677263357	27.9271699792
18	0.261283149914	-0.0100727707793	-0.0469094620318	0.0636678283442	-0.0121677151287	0.0154924653739	-0.0391640976513	0.0255597469949	-0.0544867491257	-0.0424398165823	0.0583639091404	-0.0243540670275	0.0917871718545	0.105069507883	-0.0791538026978	0.207211052486	0.0050369086711	0.0339012137753	0.149469550036	-0.00293473537923	0.178810830612	-26.1401841698	-41.4135670246	26.0200194401
19	0.121706462114	-0.0145152664564	0.046020973829	0.053981477935	0.0497139565664	0.0731197159945	-0.0237670737196	-0.809893727942	0.00665786058244	0.329343535433	-0.136122011457	-0.527277731923	-0.0128650742003	0.579680908464	0.00048192028267	0.39206667205	-0.0068383615204	-0.0429242323373	0.577033585568	0.0268030118674	0.396262253208	-14.4979399244	-28.4619115251	52.2542423707
20	0.40583738307	-0.0149456941477	0.0539423517069	0.472186969435	-0.233005912342	0.453212196696	-0.0178350764742	-0.0872988586259	-0.135026147143	0.137321465298	0.0556740046818	0.0673501883249	0.191702909443	0.0388377234778	0.160844765396	0.200348305439	0.0204697623886	0.0265875214764	0.189318422043	0.0334863140338	0.166346464237	-27.3114072395	-35.3954152823	45.9943479224
21	0.196644650443	0.0782762172529	-0.0952619161169	0.239880444419	-0.113435773358	0.260286357363	-0.0638092857422	-0.00962637346211	-0.0605001255475	-0.0252831349931	0.0242049199214	0.0651637062849	0.0500947308008	0.034381481406	-0.00788349218132	0.160266991153	0.00737205076753	0.0194471926669	0.167947938444	0.0108587846805	0.168730836414	-26.3653611874	-29.5433625868	36.5636095292
22	0.18855323362	-0.120236511707	-0.150775158775	0.492734623084	0.0352582945171	0.144854372208	-0.0963488300786	-0.483208668473	0.236805989584	0.408976807322	0.0522773539788	-0.359746010902	-0.182079681201	0.0754203805428	-0.00538271504417	0.338074480365	0.00780975886825	-0.0424252845652	0.362095854229	-0.0956164759999	0.21134772124	-21.2043816368	-4.83965845369	52.0360786163
23	0.544274927833	0.052221726882	0.191717818892	1.13900856273	-0.0933223718097	0.721400041267	0.0364965130846	0.243602817006	0.087054634542	-0.257615365896	-0.043932189616	-0.187918418153	0.0408958555935	0.116471768485	0.088159025513	0.206409040751	0.0182523491689	0.0544376354664	0.227760308285	0.0342143169449	0.156681520005	-6.91108334424	-12.6391509243	5.66142988792
24	0.0309173506489	-0.0576646920581	0.0276446574193	0.215518541214	-0.221845349667	0.253023831161	-0.0067619263602	-0.0195916288927	0.0413465065883	-0.158063458202	-0.0560258991888	-0.179572330013	0.05102033044	0.12832783836	0.0194924500113	0.196929312002	0.0471122962832	0.0676398892626	0.235334104173	0.042018547049	0.241644971475	5.6623206232	-22.5840504631	13.2592623259
25	0.40205068197	-0.417515208227	0.0103127854713	0.684513521905	0.293687695309	0.407695863695	-0.00672596190473	0.0146999021173	0.000189264036081	-0.297014274209	-0.149776952384	-0.521225810343	0.244676142936	0.276754242673	0.0754458369906	0.253935838918	0.0963627815159	0.130356619582	0.281072510598	0.0624891804789	0.297011510585	12.0908266399	-30.0040169447	15.2937181032
26	0.373959056872	0.0725562512597	-0.251895499149	0.16870285437	-0.11235590497	0.359848404291	-0.0882824974178	0.185062271568	-0.133391582322	-0.184060709635	0.0773630201318	-0.237049523547	0.11864878387	0.163101966961	-0.264322891073	0.210287053233	0.049468824261	0.0429276603142	0.203476233421	0.00336885400979	0.220559329926	-4.13642416915	-35.0038629173	17.7680575365
27	0.557108862342	-0.316311943546	-0.0639141896784	0.288932990906	-0.0347404329888	0.313594272211	0.0959632884415	0.0123451201021	-0.434087713762	0.132286534667	-0.00913409382252	-0.401638386923	0.226120105563	0.187062432104	-0.358413634269	0.181284530422	0.0565466997297	0.0338668413567	0.219954518623	0.0105765134669	0.241065632017	1.39761482402	-35.8790561078	26.5968476063
28	0.152486097296	0.0174280755288	-0.149967632464	0.488619689858	-0.171638839997	0.1916160857	-0.0679520825691	0.0288284516028	0.0402536389691	-0.132270471993	-0.0018362314084	-0.0398540950682	0.0814061940966	0.117311928953	-0.0309238089463	0.173635996696	0.030497697315	0.0228412937045	0.182844761184	0.00716312894073	0.174627950232	-7.47702433875	-27.5991284395	21.9912385201
29	0.136537140785	0.00693128781664	-0.119838641922	0.166717936071	-0.0252224257606	0.11972884127	-0.028862879026	-0.0228193144703	-0.124596942117	-0.0559675414537	0.0311048096328	-0.18881183207	0.115594390247	0.121302352105	-0.061119441505	0.175226815247	0.0286668330336	0.0221271145267	0.183761021751	0.00617888749458	0.160383028536	-8.18111493017	-30.3765196291	27.4199459288
30	0.717237418223	-0.262548536978	-0.0728274067139	1.17695322247	-0.711479300856	0.50183827092	0.0631299927204	0.112835811464	-0.18781521183	-0.282273293092	0.0306597940536	0.0463752099432	0.260690173994	0.0234170161286	0.0113666937281	0.196480848141	0.0171777685162	0.0154308691585	0.185744859549	-0.00108226278732	0.168045061472	-8.87318490028	-24.3596773033	17.0535392729
31	0.198054598061	-0.0831017805974	0.0188539309538	0.29247102601	0.0107966719949	0.198632445819	0.0449267405989	0.12046359613	-0.0467416232454	-0.1089616473	-0.0056294584426	-0.136074109913	0.13154906564	0.184460250306	-0.0121308478669	0.178756996487	0.0208949650987	0.0294246280201	0.193244288128	0.00636926547294	0.157147067993	-8.01621884988	-17.8759778744	10.0168637912
32	0.101180325252	0.0155326057222	-0.0812103950001	0.324424899322	-0.111400215989	0.0816389445412	0.00254969483438	-0.0170601027364	-0.0230779704066	-0.0501726284678	-0.00703974414525	-0.0717961347733	0.0424043480248	0.0325977084572	-0.000609601642692	0.1520840387	0.0100727419025	0.0168638386571	0.172634391118	0.00726806210998	0.15827190902	-10.8122354072	-17.5155643859	20.1161258805
33	0.669005774751	-0.272646546395	-0.0136078574568	0.25619764631	-0.279008538337	0.686698697153	-0.0438947870821	0.191197645232	-0.179590208902	-0.592275015904	-0.286816091825	0.461624650586	0.210731190754	-0.238169273441	-0.179490469689	0.324980418775	0.013973348732	-0.169631357515	0.265850983804	-0.0717057263381	0.272142181248	-37.9235071401	-18.5634950033	7.0527285747
34	0.355521737343	0.0675256844592	-0.260019482867	0.975367381479	-0.240696533909	0.55199398111	-0.0488863263928	0.11352155215	-0.0937929342985	0.0801497385654	0.0374277955735	0.288528167635	0.249033119358	-0.385602919576	0.0727249348167	0.210408769054	-0.0375387313916	0.0393290195576	0.205095893208	0.00561730294543	0.25959675764	-42.5145495365	-40.6555381087	31.2488054365
35	0.0917536908231	0.00155834290521	-0.0388190512978	0.39476320784	0.117231834902	0.0560191476712	-0.0392013081104	-0.0479715867188	-0.0671980196595	0.123336350186	-0.00768936981126	0.35244839571	0.11124456384	-0.127386314388	-0.0984333978975	0.161566891366	-0.0209696810205	0.0472219116371	0.202973027265	0.0115882110366	0.257112973469	-48.186391469	-25.7579351561	38.648160133
36	0.229496472651	-0.0679741087123	-0.117146482665	0.290162354577	0.132274483216	0.43399387663	-0.0551482839279	0.0720571589283	-0.153546205306	0.150932100019	0.102890767547	0.647787362643	0.0338376914765	-0.277837473208	-0.18894133675	0.129445197072	-0.020424717067	0.0466135331262	0.275157161427	0.0220009906137	0.422924916111	-55.7546987867	-22.8383564802	38.2915024348
37	0.390038658089	-0.0112484838454	-0.261133205234	0.686704125713	0.0768688693669	0.354676362136	-0.0329057349185	0.0331780735493	0.0227634766307	0.083826990924	0.0322642854096	0.270638462501	-0.00794801795721	-0.192859341765	-0.297415955374	0.129766195587	0.0150240268829	0.0335860605902	0.200104138737	0.0192726897571	0.244167766154	-46.2376741866	-13.466495093	36.244679569
38	0.21031552565	0.0287807532732	-0.280208136289	0.527026910301	0.0621591628566	0.402500897445	0.0493757059921	0.0459237902931	0.0917195644662	0.142816501764	-0.0106104902059	0.178136630847	-0.342639094097	-0.222463169042	-0.239046180745	0.151938889509	0.0282457226023	0.0429852286201	0.199951344576	0.0252725622677	0.182229543144	-38.8481034354	-9.06962037813	36.4699961528
39	0.106848393402	0.0612704794447	-0.126511900046	0.473705969018	-0.146322525704	0.151416062169	-0.0292415696867	-0.0214496953591	0.0124065119437	-0.0134625812839	0.00436326185263	0.105795882395	0.105338764514	-0.0561407085575	-0.0627917928602	0.145661731316	0.00357443434327	0.00906644558352	0.176611896687	0.0116587116975	0.152920966686	-34.1153235802	-20.2444370699	31.7155280988
40	0.0958787336436	0.00648235760803	0.0905558542767	0.273975622899	-0.0615155583049	0.268895616261	0.0183628448559	-0.0790177872424	-0.0182755425369	0.0314671048866	0.0797171706324	0.1019906214	-0.0312162450535	-0.134717256691	0.0198900482818	0.147179043655	0.0106031964327	0.00860334881353	0.175240573022	0.0135734131715	0.144689567528	-30.5460159504	-15.2969203807	32.8249278348
41	0.839042447675	0.226854389834	-0.101079473932	1.5001785457	-0.343044326852	0.784799718238	-0.0781808857472	0.156791593663	-0.063084828109	-0.291442781955	0.0582673248313	0.246431202262	0.107027296629	-0.0694519090845	0.253742432164	0.163535479198	-0.00797127645519	-0.00508383620121	0.171478276068	0.0121241356912	0.17326029919	-36.0882347504	-25.5269701232	28.8467814885
42	0.356383120303	0.0746139644414	-0.089607672716	0.230558215906	0.0256486862979	0.165609381949	-0.0501476928063	-0.0284989671085	-0.0130839810231	-0.00833261738908	-0.0464155127841	0.193087199132	0.0408167561847	-0.165085577292	-0.0119317717809	0.166460488718	-0.0149522784076	0.00485747166178	0.171458624122	0.00253680703162	0.196801453401	-39.9708471614	-34.2654818761	29.7400081435
43	0.0776911853094	-0.0303237641969	-0.106971757226	0.439305363026	-0.0239636570482	0.134293177849	-0.0378431240525	-0.028670783897	-0.0321223429296	0.026638991291	0.00985836115843	0.0765093358551	0.023815822354	-0.0177300159767	-0.0562774666744	0.159235583221	-0.00323986623238	0.0228187466547	0.170611114143	0.0136510793821	0.162866307449	-29.5720609024	-30.512089753	30.9761208486
44	1.12494402063	0.464795472694	0.0527616403885	0.990423520661	0.419936034668	0.207781992912	0.0395019538171	0.474727860591	0.0576861479063	-0.488535115508	-0.0411979134005	0.22281930437	0.0557255609688	0.0253599020984	0.0489042439839	0.452601605878	0.0126221125485	-0.00953640295018	0.261197897531	-0.0569294948152	0.14861357184	-22.0153157925	-43.9307757645	5.98255739807

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 35 through 58 )	A	A	35 - 58	1 - 24
2	2	chain 'A' and (resid 59 through 81 )	A	A	59 - 81	25 - 47
3	3	chain 'A' and (resid 82 through 134 )	A	A	82 - 134	48 - 100
4	4	chain 'A' and (resid 135 through 157 )	A	A	135 - 157	101 - 123
5	5	chain 'A' and (resid 158 through 186 )	A	A	158 - 186	124 - 152
6	6	chain 'A' and (resid 187 through 207 )	A	A	187 - 207	153 - 173
7	7	chain 'A' and (resid 208 through 227 )	A	A	208 - 227	174 - 193
8	8	chain 'A' and (resid 228 through 311 )	A	A	228 - 311	194 - 263
9	9	chain 'A' and (resid 312 through 326 )	A	A	312 - 326	264 - 278
10	10	chain 'B' and (resid 35 through 58 )	B	B	35 - 58	1 - 24
11	11	chain 'B' and (resid 59 through 81 )	B	B	59 - 81	25 - 47
12	12	chain 'B' and (resid 82 through 107 )	B	B	82 - 107	48 - 73
13	13	chain 'B' and (resid 108 through 134 )	B	B	108 - 134	74 - 100
14	14	chain 'B' and (resid 135 through 157 )	B	B	135 - 157	101 - 123
15	15	chain 'B' and (resid 158 through 186 )	B	B	158 - 186	124 - 152
16	16	chain 'B' and (resid 187 through 207 )	B	B	187 - 207	153 - 173
17	17	chain 'B' and (resid 208 through 227 )	B	B	208 - 227	174 - 193
18	18	chain 'B' and (resid 228 through 240 )	B	B	228 - 240	194 - 206
19	19	chain 'B' and (resid 241 through 265 )	B	B	241 - 265	207 - 220
20	20	chain 'B' and (resid 266 through 284 )	B	B	266 - 284	221 - 239
21	21	chain 'B' and (resid 285 through 311 )	B	B	285 - 311	240 - 266
22	22	chain 'B' and (resid 312 through 326 )	B	B	312 - 326	267 - 281
23	23	chain 'C' and (resid 35 through 58 )	C	C	35 - 58	1 - 24
24	24	chain 'C' and (resid 59 through 81 )	C	C	59 - 81	25 - 47
25	25	chain 'C' and (resid 82 through 134 )	C	C	82 - 134	48 - 100
26	26	chain 'C' and (resid 135 through 157 )	C	C	135 - 157	101 - 123
27	27	chain 'C' and (resid 158 through 186 )	C	C	158 - 186	124 - 152
28	28	chain 'C' and (resid 187 through 207 )	C	C	187 - 207	153 - 173
29	29	chain 'C' and (resid 208 through 227 )	C	C	208 - 227	174 - 193
30	30	chain 'C' and (resid 228 through 265 )	C	C	228 - 265	194 - 219
31	31	chain 'C' and (resid 266 through 284 )	C	C	266 - 284	220 - 238
32	32	chain 'C' and (resid 285 through 308 )	C	C	285 - 308	239 - 262
33	33	chain 'C' and (resid 309 through 325 )	C	C	309 - 325	263 - 279
34	34	chain 'D' and (resid 36 through 58 )	D	D	36 - 58	1 - 23
35	35	chain 'D' and (resid 59 through 81 )	D	D	59 - 81	24 - 46
36	36	chain 'D' and (resid 82 through 107 )	D	D	82 - 107	47 - 72
37	37	chain 'D' and (resid 108 through 157 )	D	D	108 - 157	73 - 122
38	38	chain 'D' and (resid 158 through 186 )	D	D	158 - 186	123 - 151
39	39	chain 'D' and (resid 187 through 207 )	D	D	187 - 207	152 - 172
40	40	chain 'D' and (resid 208 through 227 )	D	D	208 - 227	173 - 192
41	41	chain 'D' and (resid 228 through 265 )	D	D	228 - 265	193 - 219
42	42	chain 'D' and (resid 266 through 284 )	D	D	266 - 284	220 - 238
43	43	chain 'D' and (resid 285 through 311 )	D	D	285 - 311	239 - 265
44	44	chain 'D' and (resid 312 through 325 )	D	D	312 - 325	266 - 279

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