PDB-7tqq: Structure of human TREX1-DNA complex

ID or keywords:

Entry

Database: PDB / ID: 7tqq

Title

Structure of human TREX1-DNA complex

Components

DNA (5'-D(P*TP*TP*GP*GP*CP*CP*GP*GP*CP*CP*AP*TP*C)-3')
Three-prime repair exonuclease 1

Keywords

HYDROLASE/DNA / nuclease / DNase / innate immunity / autoimmunity / HYDROLASE / HYDROLASE-DNA complex

Function / homology

Function and homology information

Regulation by TREX1 / immune response in brain or nervous system / adenyl deoxyribonucleotide binding / CD86 biosynthetic process / immune complex formation / atrial cardiac muscle tissue development / activation of immune response / DNA synthesis involved in UV-damage excision repair / T cell antigen processing and presentation / MutSalpha complex binding ...Regulation by TREX1 / immune response in brain or nervous system / adenyl deoxyribonucleotide binding / CD86 biosynthetic process / immune complex formation / atrial cardiac muscle tissue development / activation of immune response / DNA synthesis involved in UV-damage excision repair / T cell antigen processing and presentation / MutSalpha complex binding / retrotransposition / oligosaccharyltransferase complex / regulation of lysosome organization / regulation of fatty acid metabolic process / regulation of lipid biosynthetic process / DNA modification / WW domain binding / heart process / MutLalpha complex binding / regulation of protein complex stability / cellular response to hydroxyurea / lymphoid progenitor cell differentiation / regulation of type I interferon production / double-stranded DNA 3'-5' DNA exonuclease activity / exodeoxyribonuclease III / macrophage activation involved in immune response / regulation of tumor necrosis factor production / IRF3-mediated induction of type I IFN / regulation of cellular respiration / inflammatory response to antigenic stimulus / DNA catabolic process / regulation of immunoglobulin production / apoptotic cell clearance / regulation of T cell activation / regulation of glycolytic process / DNA duplex unwinding / DNA binding, bending / 3'-5'-DNA exonuclease activity / negative regulation of type I interferon-mediated signaling pathway / DNA metabolic process / negative regulation of cGAS/STING signaling pathway / type I interferon-mediated signaling pathway / blood vessel development / nuclear replication fork / cellular response to interferon-beta / mismatch repair / heart morphogenesis / mitotic G1 DNA damage checkpoint signaling / negative regulation of innate immune response / 3'-5' exonuclease activity / generation of precursor metabolites and energy / kidney development / determination of adult lifespan / protein-DNA complex / establishment of protein localization / cellular response to gamma radiation / cellular response to reactive oxygen species / nuclear envelope / single-stranded DNA binding / regulation of inflammatory response / double-stranded DNA binding / DNA recombination / defense response to virus / DNA replication / protein stabilization / DNA repair / endoplasmic reticulum membrane / magnesium ion binding / protein homodimerization activity / metal ion binding / cytoplasm / cytosol
Similarity search - Function

Biological species

Homo sapiens (human)
synthetic construct (others)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.2 Å

Authors

Zhou, W. / Richmond-Buccola, D. / Kranzusch, P.J.

Funding support

United States, 1items

Citation

Journal: Nat Commun / Year: 2022
Title: Structural basis of human TREX1 DNA degradation and autoimmune disease.
Authors: Zhou, W. / Richmond-Buccola, D. / Wang, Q. / Kranzusch, P.J.

History

Deposition	Jan 26, 2022	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Aug 3, 2022	Provider: repository / Type: Initial release
Revision 1.1	Oct 18, 2023	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	7tqq.cif.gz	498.5 KB	Display	PDBx/mmCIF format
PDB format	pdb7tqq.ent.gz	335.1 KB	Display	PDB format
PDBx/mmJSON format	7tqq.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	7tqq_validation.pdf.gz	474.3 KB	Display	wwPDB validaton report
Full document	7tqq_full_validation.pdf.gz	484.6 KB	Display
Data in XML	7tqq_validation.xml.gz	37.3 KB	Display
Data in CIF	7tqq_validation.cif.gz	53.8 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/tq/7tqq ftp://data.pdbj.org/pub/pdb/validation_reports/tq/7tqq	HTTPS FTP

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Related structure data

Related structure data	7tqnC 7tqoC 7tqpC 3mxjS S: Starting model for refinement 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
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PDB pages

PDBj /

wwPDB /

NCBI

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Deposited unit

A: Three-prime repair exonuclease 1

B: Three-prime repair exonuclease 1

C: DNA (5'-D(P*TP*TP*GP*GP*CP*CP*GP*GP*CP*CP*AP*TP*C)-3')

D: DNA (5'-D(P*TP*TP*GP*GP*CP*CP*GP*GP*CP*CP*AP*TP*C)-3')

E: Three-prime repair exonuclease 1

F: Three-prime repair exonuclease 1

G: DNA (5'-D(P*TP*TP*GP*GP*CP*CP*GP*GP*CP*CP*AP*TP*C)-3')

H: DNA (5'-D(P*TP*TP*GP*GP*CP*CP*GP*GP*CP*CP*AP*TP*C)-3')

131 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Three-prime repair exonuclease 1

B: Three-prime repair exonuclease 1

C: DNA (5'-D(P*TP*TP*GP*GP*CP*CP*GP*GP*CP*CP*AP*TP*C)-3')

D: DNA (5'-D(P*TP*TP*GP*GP*CP*CP*GP*GP*CP*CP*AP*TP*C)-3')

defined by author&software
Evidence: gel filtration
65.6 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

E: Three-prime repair exonuclease 1

F: Three-prime repair exonuclease 1

G: DNA (5'-D(P*TP*TP*GP*GP*CP*CP*GP*GP*CP*CP*AP*TP*C)-3')

H: DNA (5'-D(P*TP*TP*GP*GP*CP*CP*GP*GP*CP*CP*AP*TP*C)-3')

defined by author&software
65.6 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	43.681, 91.356, 157.386
Angle α, β, γ (deg.)	90.000, 90.707, 90.000
Int Tables number	4
Space group name H-M	P12₁1
Space group name Hall	P2yb
Symmetry operation	#1: x,y,z #2: -x,y+1/2,-z

#1: Protein	Three-prime repair exonuclease 1 / 3'-5' exonuclease TREX1 / Deoxyribonuclease III / DNase III Mass: 26067.988 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: TREX1 / Production host: Escherichia coli (E. coli) / References: UniProt: Q9NSU2, exodeoxyribonuclease III
#2: DNA chain	DNA (5'-D(PTPTPGPGPCPCPGPGPCPCPAPTPC)-3') Mass: 6710.313 Da / Num. of mol.: 4 / Source method: obtained synthetically / Source*: (synth.) synthetic construct (others)
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 428 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.67 Å³/Da / Density meas: 57.69 Mg/m³ / Density % sol: 48.64 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion, hanging drop / Details: 0.05 M Li2SO4, 0.1 M Bis-Tris pH 6.5, 25% PEG-3350

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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: 0.9792 Å
Detector	Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Feb 5, 2021
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9792 Å / Relative weight: 1
Reflection	Resolution: 2.2→45.68 Å / Num. obs: 62516 / % possible obs: 99.5 % / Redundancy: 5.5 % / B_iso Wilson estimate: 37.87 Å² / CC_1/2: 0.99 / R_pim(I) all: 0.085 / Net I/σ(I): 5.6
Reflection shell	Resolution: 2.2→2.26 Å / Redundancy: 5.3 % / Mean I/σ(I) obs: 1.1 / Num. unique obs: 4576 / CC_1/2: 0.325 / R_pim(I) all: 0.766 / % possible all: 98.9

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Processing

Software

Name	Version	Classification
PHENIX	1.19.1_4122	refinement
XDS		data reduction
Aimless		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 3MXJ

3mxj

Resolution: 2.2→45.68 Å / SU ML: 0.3349 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 27.1988
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2608	2003	3.25 %
R_work	0.2263	59686	-
obs	0.2274	61689	98.13 %

Solvent computation

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

Displacement parameters

B_iso mean: 49.74 Å²

Refinement step

Cycle: LAST / Resolution: 2.2→45.68 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	6488	1220	0	428	8136

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0054	8018
X-RAY DIFFRACTION	f_angle_d	0.789	11166
X-RAY DIFFRACTION	f_chiral_restr	0.0434	1282
X-RAY DIFFRACTION	f_plane_restr	0.0063	1235
X-RAY DIFFRACTION	f_dihedral_angle_d	20.2673	3017

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 (%)
2.2-2.26	0.3441	129	0.281	3852	X-RAY DIFFRACTION	89.36
2.26-2.32	0.3096	140	0.2862	4158	X-RAY DIFFRACTION	95.77
2.32-2.38	0.3359	139	0.2736	3991	X-RAY DIFFRACTION	92.96
2.38-2.46	0.3027	144	0.2626	4288	X-RAY DIFFRACTION	98.82
2.46-2.55	0.2861	143	0.2581	4315	X-RAY DIFFRACTION	99.75
2.55-2.65	0.2824	143	0.2545	4288	X-RAY DIFFRACTION	99.91
2.65-2.77	0.3401	143	0.2654	4350	X-RAY DIFFRACTION	99.78
2.77-2.92	0.3048	145	0.2536	4366	X-RAY DIFFRACTION	99.91
2.92-3.1	0.2954	147	0.238	4296	X-RAY DIFFRACTION	99.84
3.1-3.34	0.2772	143	0.2343	4366	X-RAY DIFFRACTION	99.71
3.34-3.68	0.2732	143	0.2148	4261	X-RAY DIFFRACTION	98.59
3.68-4.21	0.225	149	0.2006	4359	X-RAY DIFFRACTION	100
4.21-5.3	0.2025	147	0.1886	4366	X-RAY DIFFRACTION	99.87
5.3-45.68	0.2254	148	0.2147	4430	X-RAY DIFFRACTION	99.39

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	1.49640918115	-0.919813416544	0.141464244452	5.71666478676	0.31681439883	1.93042648637	0.131968677403	0.272278033369	0.181452162989	-0.786482876404	-0.218135889852	-0.00165635928724	-0.188513735162	-0.238931417456	0.0120840355117	0.322762564035	0.0405228466285	0.0373770735103	0.46676781624	0.0469446552049	0.291215106288	-5.76160700796	-22.8846235648	-25.2557375075
2	2.07340156425	-0.148050038908	0.441078254948	3.11112294442	1.87553859924	1.21136213177	-0.317523302727	0.298299012949	-0.0390318850444	-0.528483833061	0.31221792398	0.244865485304	-0.117060524042	0.216198563857	-0.0677938215214	0.403828536754	0.0278560297421	-0.0222828303859	0.475114109396	-0.00495581324115	0.373380311335	1.07775976288	-21.7431465768	-19.6300856817
3	0.520371403032	1.15433520756	-0.589298237545	2.02665881605	-0.544311580865	0.619920629884	0.00988153089232	0.0456971616585	-0.0945438566417	-0.0612300471514	-0.123336366838	0.387221926068	0.132691679903	-0.206362118398	0.130249992744	0.31428929397	0.00720691051205	-0.0333326755411	0.40972944383	-0.0503449537507	0.392750271883	-7.09151121066	-32.2347646645	-15.5106185283
4	1.07342151023	0.895187524392	0.334746582223	2.67022052186	-0.0809807756451	0.608378755298	-0.129081955766	0.471528043775	-0.0642525020429	-1.01659429656	-0.0255281043719	0.13561273133	-0.600904851584	-0.47008567029	0.00979812294958	0.520432651349	-0.0146613767357	-0.0387913722865	0.595185892357	0.0132247243319	0.356429243494	-8.54618944645	-20.6077683864	-28.5082368511
5	1.38927519274	-0.454686388346	-1.42344898827	2.18314366625	0.446929140834	3.14123115795	-0.0845500929146	-0.0347809366561	0.583684995247	-0.145566133224	-0.689741126729	1.03255784809	-0.404728803255	-1.29792963921	0.407684752275	0.339583061814	0.0794394046105	-0.0994235730109	0.664681462392	-0.101268824579	0.496665784073	-16.7473881839	-28.2616233695	-24.7937105666
6	4.19122479684	-0.116341434154	0.364933109827	1.95399304219	0.00536700234019	1.2444764152	0.311275315128	1.45727677268	0.844591465783	-1.22410329935	-0.269300474455	-0.0874816411985	0.0986782627778	-0.246029607735	0.122202464786	0.727001804682	0.0616069245078	0.00263829318834	0.664219314604	-0.0200800985238	0.410066890271	2.97027792003	-20.3390586309	-37.2080627725
7	4.36684463798	-0.569191438655	-1.56762058921	2.7566592586	-0.626289310764	3.89911608616	0.0630473655979	0.547438744007	-0.167298323581	-0.329415550437	-0.112600522072	-0.833490527587	0.0649044453636	0.923391433321	-0.0907263233689	0.492803895626	0.0118694896833	0.0162627299379	0.482164084992	-0.0498903426726	0.450470984766	6.59050304132	-23.538192373	-25.6610958517
8	5.60890724366	-0.0948687176393	1.15839142534	1.96415533893	0.529380220035	0.418555581128	-0.0539434455791	2.17623721165	0.794687967224	-1.31358607868	0.208243459897	-0.23299926979	-0.318978364689	0.0612941167832	0.0851075854834	1.13538840013	0.0379202025973	0.143370692554	0.583087591388	0.161075046233	0.656892802445	-1.93666847946	-10.6076256926	-35.9855553975
9	0.197454617033	-0.0857741474078	-0.0574840827644	2.33333254802	0.579241941067	0.238793597934	0.403388586139	-0.294562259608	0.502215502948	-0.556767986282	0.0436724251687	1.03161739956	0.0564758995915	-0.43605772741	-0.0806632787979	0.605777630861	0.0122380684496	-0.0993854154849	0.649437066441	-0.000764660378219	0.399953622715	-16.2970698958	-27.152740784	-32.2340146912
10	0.680415948846	0.168911440209	-0.142766420065	2.22795182116	0.190318173895	0.669068259896	-0.199267612766	-0.202931004846	-0.201718060851	0.180442344486	0.0877607597305	0.573245898468	0.00797777519246	-0.111437278703	0.069861878222	0.245187254774	0.0191964615331	0.00796493317372	0.272599273612	-0.00386270166691	0.410479021467	0.0208862475202	-17.1616827456	1.93118107893
11	2.46957267012	1.57582158571	0.104032851016	1.24940741618	1.12996191728	2.10802634371	0.00502460974648	0.149778491334	-0.517986285296	0.0689334034654	-0.0788276357156	-0.0200123608925	0.538882492386	0.166192862685	0.0499667467902	0.420007949471	0.0683754839708	0.0370839626705	0.396648775969	0.0418173690799	0.305280089944	6.50097394617	-30.0729752269	-6.86017808219
12	0.20885810073	-0.43250785568	-0.219171522433	2.66019073275	1.31307393373	2.01364167781	0.0878073162716	0.0554385833541	0.134451278914	-0.174499399027	-0.240224816032	0.138408032396	-0.011151514513	-0.16150809803	0.137872835833	0.277341245549	0.000960184456381	0.00808560814615	0.347085978521	0.00980090520712	0.378751086503	-3.45075709268	-14.331239526	-5.20485903996
13	1.05884113348	-1.58251521195	0.839168822793	2.46838320833	-0.50998858128	2.61376710299	-0.207073720356	-0.241207834437	-0.158761160932	0.187989024984	0.124715144727	0.106517061704	0.021566489892	-0.154150318982	0.0697713080541	0.373036956285	-0.0157691714631	0.104631795415	0.272288179237	0.0356310813195	0.36843438722	-1.20955066743	-19.7163904615	6.3869326655
14	3.40405222177	1.02838282978	1.60313257522	0.983833115509	1.05871186975	2.277439846	0.0451112735869	-0.26106518181	-0.237501326097	0.21840416447	0.0646211670142	-0.309606727703	0.338614023108	0.302849460528	-0.12669958396	0.359560041294	0.0437783971078	0.0241685898655	0.372281657251	0.0127761813186	0.481638290153	13.083604152	-24.3990390123	0.0302402610114
15	1.89330024537	-0.564266262589	-0.398642403459	6.81580897744	0.133421436739	1.38383452989	0.0694045722498	-0.132353195943	0.286156556605	1.29779837103	-0.123254951599	0.220777153415	-0.103331232872	-0.267658494916	-0.117647185326	0.469556649852	0.0402321199389	0.0884856547493	0.400874585562	0.0371447793388	0.36467403521	-5.10609633589	-16.8419779869	10.6249683018
16	8.7311987696	0.96993116594	5.45457356459	4.04197851066	-2.70365500965	6.21668800117	0.19720939382	-0.0587645974326	-1.63416892489	-1.59151158423	0.251144866049	-0.0749462151256	2.25618209223	-0.128211903381	-0.58995103874	1.47084262887	-0.127945465844	-0.0307429258693	1.33979797713	0.0600229192277	0.54995690217	-4.63975883948	-40.0275972569	-39.320193952
17	7.53625802834	0.897248380949	5.48717709871	0.602739131412	1.62419115788	5.78709295658	1.62707944685	0.463014496387	-0.879353912862	3.55129780875	0.12436564841	0.0537780709786	1.2109885953	0.0832168841256	-0.534628971864	1.74022079172	0.199356598147	-0.132549464255	2.21189210123	0.381392197062	1.02106331333	-4.74292519691	-33.0027933947	-52.2270229037
18	1.33295859334	-0.222354522767	-0.691698038296	0.133202341851	0.52006851065	1.84505331084	0.657139271858	0.682187180929	0.208997279537	-2.33225270782	0.16532370237	-0.12042568457	0.942592969046	-0.0927225017463	0.911495966451	1.47200477467	0.100767347261	0.0308409671367	0.612141890986	-0.036545087694	0.28305389724	0.484133824322	-35.2729993772	-40.384677034
19	4.64477774146	-1.57575575279	-0.778115813587	7.03674428233	1.76623235323	3.6936546039	-0.534304065071	-0.912093015889	-0.286512361671	1.93968718092	0.691429696391	-1.41254747613	-0.356789753177	1.54580138256	-0.142187609295	0.818803331883	0.0941600375684	-0.156307620799	0.660041591161	0.0888078688887	0.656116191412	13.3817625812	-8.42170843038	12.643027687
20	1.66307275918	-0.565803227399	0.00581061212446	3.26094701522	-0.315343502996	1.27545340917	-0.0704146469332	-0.264433033586	-0.0625428573651	0.631896695666	-0.0372688505296	0.153191702194	-0.0242379954571	0.108272038707	0.0458664861982	0.449412659815	-0.00529627418105	-0.0130480414806	0.442944911736	0.0186755417461	0.279459567993	15.8723645394	-61.1924329935	-53.5264477906
21	2.23746984089	-0.0033654483203	-0.532579785406	3.32716572184	-1.13948021708	2.10556061474	-0.148833189452	-0.174913240298	-0.037245690177	-0.12150370642	0.044186432348	-0.020791062324	0.125061292684	0.0790477587445	0.126986430782	0.298710095763	0.0195678684042	-0.0262937387837	0.257886369787	-0.0438756861376	0.152493534591	17.1622129235	-65.1760446426	-61.7054862569
22	0.600133012671	-1.41220888916	0.438555023228	3.03597881885	-0.0978429831492	0.98958164989	-0.0539974114103	-0.247056826321	-0.0470988675047	0.837384723237	0.0128321917933	-0.613238108893	-0.250127407552	0.45132263482	0.0516018098679	0.374518970495	0.00593216857779	-0.0365077727905	0.511392828114	0.00682639303297	0.331093506226	21.2297384599	-62.8165082327	-49.187550238
23	1.91908626813	-0.205525536192	0.155397763405	2.36534780064	-0.442858227859	1.78508298518	-0.33993152372	-0.786613597718	0.252553179762	0.396453543182	0.129554699644	0.257868881796	-0.163594468509	-0.314445003826	0.136006567426	0.345370768015	0.0471060239514	0.0710854987947	0.524239021446	-0.0587544897041	0.382961803889	1.58373043067	-58.8944752678	-47.635876626
24	1.9765578301	-0.704576329896	-0.129406961441	1.40620643516	-0.853818742596	1.13000856626	-0.373687150511	0.178037432819	-0.683267770428	0.528380466408	-0.0809734349711	0.829668332019	0.524358319078	-0.246791605278	0.159943254544	0.390135018908	-0.0351666265755	0.0435091216462	0.507468908715	-0.0712215831749	0.43458324618	4.51203587798	-61.9955563542	-59.7709854372
25	1.02486530678	0.162600767545	0.482294338117	1.21808811799	-0.29385120095	2.39292761771	-0.0308634888364	-0.435644452185	0.314849221354	0.599814687171	-0.235009673038	0.0333664013622	0.0168248636526	-0.180979036541	0.246729646091	0.501319517755	-0.0105849369106	0.0264216160554	0.431826542384	-0.107735099187	0.328885060402	13.0581746593	-55.9264637217	-45.4202674045
26	1.19385070817	0.869048510595	-0.950973751517	3.11018721856	0.365167663184	1.86227403682	0.0275065974307	-0.199120320763	-0.0968787762566	-0.404436315041	0.0090845629361	-0.102859903666	0.186036476009	0.223329682458	0.0513486266108	0.379045084112	0.0255462236221	-0.0090568251886	0.324933844014	0.0276906723827	0.32208035289	22.3505771396	-59.3348982586	-78.7882489876
27	1.07724395633	-0.950604052184	-0.317564515029	2.73064438219	-1.54148980137	1.27427663517	-0.0507956067324	0.193798457759	-0.0728899146868	-0.183611191732	0.140172247633	0.34935653844	0.036950881486	-0.176367553796	-0.0424879593115	0.322653758939	-0.0168150411902	0.0177362491259	0.375455661034	-0.00836174920711	0.285988491193	14.708470447	-60.4047394741	-73.1547985122
28	-0.630564358054	0.140929834442	-0.333766172049	2.89351537852	-0.672173387406	1.32859376808	-0.015755769276	-0.123097626088	0.0883899841126	-0.0333677780214	-0.0165684587947	-0.213745079016	0.00580271637717	0.164712791798	0.0164713366056	0.31626492748	-0.0108688360016	0.00244774846666	0.429360603518	-0.057734360707	0.384586737259	23.9094996067	-53.3094380459	-72.8891520748
29	3.22628408311	0.75336936843	2.10464990051	3.19576439157	0.973054631185	3.68785215648	-0.130804414368	0.348133556097	-1.08221181479	-0.682136838164	0.338932422219	-1.45511331069	-0.656430578139	0.76599804902	0.00646537632324	0.403620112195	-0.0287303635026	0.0391556617092	0.463345623753	-0.012360607659	0.605323871953	33.1774868869	-54.09831652	-78.1491110743
30	2.16019813838	-0.755361906219	-0.974414618519	2.53010168408	-0.674566719887	2.54027074504	0.872252261782	0.621681138197	-0.673592094541	-0.993534835254	-0.136658838207	0.117099076426	1.08369813416	-0.785537643651	-0.15942862677	0.754706550334	0.00801229876378	-0.0513914641516	0.476865438955	-0.0437136110975	0.362856918125	18.299121984	-63.3043497538	-91.6671675475
31	2.39878461776	0.537778325397	0.359770363266	1.18030855027	-0.36240827977	3.6948555343	0.0241049284605	0.23228814222	0.155964439251	-0.293676456611	-0.122436395377	0.242187172393	-0.336817024333	-0.9515399589	-0.176911456719	0.405399019219	0.0375461943321	-0.0641958905017	0.470820813635	0.00223068011648	0.334843201611	8.49411056228	-58.115041166	-83.5046095415
32	3.78216134591	-0.80565804756	-1.86911098459	1.45857485981	-0.110878851321	1.1622578798	-0.176070655989	1.77369268289	-1.40383677416	-2.285687888	0.139366625779	0.375959482168	1.55663134307	-0.636863927041	-1.17515027192	1.32485507014	-0.0017756056245	-0.258558634322	0.0100196174069	-0.52489134789	0.0278757468875	16.994194522	-70.9022194961	-88.3779493397
33	0.227155063715	0.518798302563	-0.22097728873	3.7579330151	-2.12496078256	1.27373350515	0.257539092816	-0.216028840009	-0.157563644917	-1.97528190888	-0.394023751012	-1.36606727953	0.560296064071	0.0796942632869	0.126326345372	0.662665232643	-0.0636676006845	0.201397205006	0.504367125374	0.00502501461449	0.655087597364	32.7668301342	-55.0133137829	-85.415067664
34	0.24517396862	-0.41936460694	-0.178292814017	2.99817122711	-0.351464702829	6.24703020225	-0.288810508522	-3.22786347694	-0.523699767693	1.56520664931	0.707558485485	0.799289114932	1.47253706244	-0.600871172347	1.19380076362	0.931547328392	0.0848291806961	0.182798271131	1.63044994415	-0.219250348639	0.452465182174	3.99800299514	-73.949636108	-41.737639184
35	4.11327489134	1.13261450148	1.6524233538	0.90887099439	0.23049509502	1.93432558352	-0.924899215251	-0.220335854035	0.152837278989	0.335680872113	0.0160777034527	-0.0477502373429	0.547604221044	-0.22215446695	-0.164978535901	1.11349141455	-0.079299686259	0.128788098036	0.549919638261	0.02019922291	0.318388698997	21.3550561577	-42.0982047164	-92.5915642279
36	7.04081497722	1.73367033664	-2.0943410148	0.467052439435	-0.353172510072	4.71815983539	0.275519472396	1.48560742113	0.1920762874	0.799611318285	-0.530054340356	0.33368413984	-0.898296603983	-1.21507196575	0.333243819317	2.75085686377	0.020893764652	-0.091429055017	1.31940438695	-0.354413732867	1.06559725183	22.5765329864	-51.2295011397	-105.230394628
37	1.88141256321	0.000724222505419	-1.03304472154	0.432030500666	-1.6829729881	7.73379334549	0.070031649926	0.674466688953	-0.137959829948	-2.07863628103	0.96353358494	-0.034301694363	-0.333463550583	-1.17057948416	-0.0885211443923	1.27235597773	-0.192676879923	-0.0275228578524	0.527077067513	-0.0586171478704	0.498897625301	16.200695485	-47.6065679771	-94.0933815698

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 8 through 45 )	A	A	8 - 45	1 - 38
2	2	chain 'A' and (resid 46 through 78 )	A	A	46 - 78	39 - 65
3	3	chain 'A' and (resid 79 through 114 )	A	A	79 - 114	66 - 101
4	4	chain 'A' and (resid 115 through 129 )	A	A	115 - 129	102 - 116
5	5	chain 'A' and (resid 130 through 150 )	A	A	130 - 150	117 - 137
6	6	chain 'A' and (resid 151 through 187 )	A	A	151 - 187	138 - 165
7	7	chain 'A' and (resid 188 through 209 )	A	A	188 - 209	166 - 187
8	8	chain 'A' and (resid 210 through 222 )	A	A	210 - 222	188 - 200
9	9	chain 'A' and (resid 223 through 234 )	A	A	223 - 234	201 - 212
10	10	chain 'B' and (resid 8 through 30 )	B	B	8 - 30	1 - 23
11	11	chain 'B' and (resid 31 through 64 )	B	B	31 - 64	24 - 52
12	12	chain 'B' and (resid 65 through 129 )	B	B	65 - 129	53 - 117
13	13	chain 'B' and (resid 130 through 164 )	B	B	130 - 164	118 - 152
14	14	chain 'B' and (resid 165 through 222 )	B	B	165 - 222	153 - 201
15	15	chain 'B' and (resid 223 through 234 )	B	B	223 - 234	202 - 213
16	16	chain 'C' and (resid 1 through 5 )	C	C	1 - 5
17	17	chain 'C' and (resid 6 through 16 )	C	C	6 - 16
18	18	chain 'C' and (resid 17 through 22 )	C	C	17 - 22
19	19	chain 'D' and (resid 1 through 22 )	D	D	1 - 22
20	20	chain 'E' and (resid 7 through 44 )	E	E	7 - 44	1 - 38
21	21	chain 'E' and (resid 45 through 114 )	E	E	45 - 114	39 - 103
22	22	chain 'E' and (resid 115 through 150 )	E	E	115 - 150	104 - 139
23	23	chain 'E' and (resid 151 through 187 )	E	E	151 - 187	140 - 167
24	24	chain 'E' and (resid 188 through 208 )	E	E	188 - 208	168 - 188
25	25	chain 'E' and (resid 209 through 234 )	E	E	209 - 234	189 - 214
26	26	chain 'F' and (resid 7 through 45 )	F	F	7 - 45	1 - 39
27	27	chain 'F' and (resid 46 through 78 )	F	F	46 - 78	40 - 67
28	28	chain 'F' and (resid 79 through 129 )	F	F	79 - 129	68 - 118
29	29	chain 'F' and (resid 130 through 150 )	F	F	130 - 150	119 - 139
30	30	chain 'F' and (resid 151 through 165 )	F	F	151 - 165	140 - 154
31	31	chain 'F' and (resid 166 through 208 )	F	F	166 - 208	155 - 189
32	32	chain 'F' and (resid 209 through 222 )	F	F	209 - 222	190 - 203
33	33	chain 'F' and (resid 223 through 234 )	F	F	223 - 234	204 - 215
34	34	chain 'G' and (resid 1 through 22 )	G	G	1 - 22
35	35	chain 'H' and (resid 1 through 5 )	H	H	1 - 5
36	36	chain 'H' and (resid 6 through 16 )	H	H	6 - 16
37	37	chain 'H' and (resid 17 through 22 )	H	H	17 - 22

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