PDB-6exp: Crystal structure of the SIRV3 AcrID1 (gp02) anti-CRISPR protein

ID or keywords:

Entry

Database: PDB / ID: 6exp

Title

Crystal structure of the SIRV3 AcrID1 (gp02) anti-CRISPR protein

Components

SIRV3 AcrID1 (gp02) anti-CRISPR protein

Keywords

VIRAL PROTEIN /

Anti-CRISPR /

CRISPR-Cas / Sulfolobus islandicus rod shaped virus 2 /

inhibitor / SIRV3

Function / homology

Sulfolobus islandicus filamentous virus, Orf14 / Protein of unknown function (DUF1374) / MafI family immunity protein

Function and homology information

Biological species

Sulfolobus islandicus rudivirus 3

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 1.93 Å

Authors

He, F. / Bhoobalan-Chitty, Y. / Van, L.B. / Kjeldsen, A.L. / Dedola, M. / Makarova, K.S. / Koonin, E.V. / Brodersen, D.E. / Peng, X.

Funding support

Denmark, 1items

Citation

Journal: Nat Microbiol / Year: 2018
Title: Anti-CRISPR proteins encoded by archaeal lytic viruses inhibit subtype I-D immunity.
Authors: He, F. / Bhoobalan-Chitty, Y. / Van, L.B. / Kjeldsen, A.L. / Dedola, M. / Makarova, K.S. / Koonin, E.V. / Brodersen, D.E. / Peng, X.

History

Deposition	Nov 8, 2017	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Jan 31, 2018	Provider: repository / Type: Initial release
Revision 1.1	May 16, 2018	Group: Data collection / Database references / Category: citation / citation_author Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2	May 8, 2024	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / struct_ncs_dom_lim Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	6exp.cif.gz	465.3 KB	Display	PDBx/mmCIF format
PDB format	pdb6exp.ent.gz	325.9 KB	Display	PDB format
PDBx/mmJSON format	6exp.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/ex/6exp ftp://data.pdbj.org/pub/pdb/validation_reports/ex/6exp	HTTPS FTP

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Related structure data

Similar structure data	4jke-1 2npt-2 6zfe-1 1jya-d 3qwn-8 2yd3-d 5x4l-2 3qwn-3 6zdy-1 3qwn-5 Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#181 - Jan 2015 Cascade and CRISPR similarity (1)

Deposited unit

A: SIRV3 AcrID1 (gp02) anti-CRISPR protein

B: SIRV3 AcrID1 (gp02) anti-CRISPR protein

C: SIRV3 AcrID1 (gp02) anti-CRISPR protein

D: SIRV3 AcrID1 (gp02) anti-CRISPR protein

E: SIRV3 AcrID1 (gp02) anti-CRISPR protein

F: SIRV3 AcrID1 (gp02) anti-CRISPR protein

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

1

A: SIRV3 AcrID1 (gp02) anti-CRISPR protein

B: SIRV3 AcrID1 (gp02) anti-CRISPR protein

defined by software
Evidence: gel filtration
26.2 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: SIRV3 AcrID1 (gp02) anti-CRISPR protein

D: SIRV3 AcrID1 (gp02) anti-CRISPR protein

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

3

E: SIRV3 AcrID1 (gp02) anti-CRISPR protein

F: SIRV3 AcrID1 (gp02) anti-CRISPR protein

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

Unit cell

Length a, b, c (Å)	54.750, 80.440, 106.320
Angle α, β, γ (deg.)	90.000, 101.230, 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

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: LYS / End label comp-ID: LYS / Auth seq-ID: 1 - 96 / Label seq-ID: 1 - 96

Dom-ID	Component-ID	Selection details	Auth asym-ID	Label asym-ID
1	1	chain A	A	A
2	2	(chain B and resid 1 through 96)	B	B
3	3	chain C	C	C
4	4	(chain D and resid 1 through 96)	D	D
5	5	chain E	E	E
6	6	(chain F and resid 1 through 96)	F	F

#1: Protein	SIRV3 AcrID1 (gp02) anti-CRISPR protein Mass: 13086.693 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Sulfolobus islandicus rudivirus 3 / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): Rosetta2 / References: UniProt: A0A1B3SN05
#2: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 57 / 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: 3.1 Å³/Da / Density % sol: 60.33 %
Crystal grow	Temperature: 292 K / Method: vapor diffusion, sitting drop / pH: 8.5 Details: 18-20% (w/v) PEG 8000, 0.2 M MgCl2, 0.1 M Tris-Cl, pH 8.5

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: PETRA III, EMBL c/o DESY / Beamline: P13 (MX1) / Wavelength: 0.9802 Å
Detector	Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Aug 31, 2017
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9802 Å / Relative weight: 1
Reflection	Resolution: 1.93→26.89 Å / Num. obs: 67149 / % possible obs: 98.7 % / Redundancy: 3.4 % / B_iso Wilson estimate: 48.09 Å² / CC_1/2: 0.999 / R_merge(I) obs: 0.036 / R_rim(I) all: 0.043 / Net I/σ(I): 13.2
Reflection shell	Resolution: 1.93→1.96 Å / Redundancy: 3.2 % / R_merge(I) obs: 0.978 / Mean I/σ(I) obs: 1.2 / Num. unique obs: 3320 / CC_1/2: 0.598 / R_rim(I) all: 1.17 / % possible all: 97.8

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Processing

Software

Name	Version	Classification
XDS		data reduction
XSCALE		data scaling
SHELXD		phasing
Coot		model building
PHENIX	1.12_2829	refinement

Refinement

Method to determine structure:

SAD / Resolution: 1.93→26.89 Å / SU ML: 0.268688593713 / Cross valid method: FREE R-VALUE / σ(F): 1.33786083638 / Phase error: 34.3761580119
Details: Iterative reciprocal space refinement with manual rebuilding

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.269017141927	3482	5.18880576998 %	RANDOM
R_work	0.234673721848	-	-	-
obs	0.236476965072	67106	98.5982956215 %	-

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å

Displacement parameters

B_iso mean: 80.9142368216 Å²

Refinement step

Cycle: LAST / Resolution: 1.93→26.89 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	5235	0	0	57	5292

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0130383015323	5376
X-RAY DIFFRACTION	f_angle_d	1.2058717096	7242
X-RAY DIFFRACTION	f_chiral_restr	0.072211485127	732
X-RAY DIFFRACTION	f_plane_restr	0.00847094921318	927
X-RAY DIFFRACTION	f_dihedral_angle_d	20.1219826049	3186

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 (%)
1.93-1.9565	0.376120563165	136	0.407385741078	2505	X-RAY DIFFRACTION	97.6340110906
1.9565-1.9844	0.39547190892	130	0.388149344106	2518	X-RAY DIFFRACTION	98.3655274889
1.9844-2.014	0.403118786462	157	0.340549257082	2548	X-RAY DIFFRACTION	99.3024963289
2.014-2.0455	0.306765981708	138	0.31341747807	2510	X-RAY DIFFRACTION	98.7322893363
2.0455-2.079	0.322849275791	125	0.313434482969	2565	X-RAY DIFFRACTION	99.3719985223
2.079-2.1148	0.327697557115	136	0.306932786121	2613	X-RAY DIFFRACTION	99.6375498369
2.1148-2.1533	0.318790460665	138	0.290179923876	2502	X-RAY DIFFRACTION	98.8393859978
2.1533-2.1947	0.323788549716	132	0.279815902107	2537	X-RAY DIFFRACTION	97.8372434018
2.1947-2.2394	0.309253435465	142	0.269989081879	2490	X-RAY DIFFRACTION	98.0625931446
2.2394-2.2881	0.293793157775	157	0.285764956848	2526	X-RAY DIFFRACTION	97.8126139264
2.2881-2.3413	0.320752550045	120	0.266683147211	2500	X-RAY DIFFRACTION	97.5428145942
2.3413-2.3998	0.348706060457	131	0.271665686849	2539	X-RAY DIFFRACTION	98.0896399706
2.3998-2.4647	0.339227130175	123	0.274693710943	2555	X-RAY DIFFRACTION	98.8556662975
2.4647-2.5371	0.310404610312	165	0.271361432918	2527	X-RAY DIFFRACTION	99.2259491338
2.5371-2.619	0.308932617106	145	0.281507013247	2577	X-RAY DIFFRACTION	99.1982507289
2.619-2.7125	0.312848759937	118	0.27563811898	2551	X-RAY DIFFRACTION	98.5234403839
2.7125-2.821	0.329003116697	149	0.272615166143	2546	X-RAY DIFFRACTION	99.6303142329
2.821-2.9492	0.301357652051	153	0.265662972557	2582	X-RAY DIFFRACTION	99.3822674419
2.9492-3.1045	0.301906474167	137	0.247744619329	2569	X-RAY DIFFRACTION	99.4487320838
3.1045-3.2987	0.298250613513	143	0.247643739185	2531	X-RAY DIFFRACTION	98.6715867159
3.2987-3.5528	0.252399778987	134	0.215263565957	2569	X-RAY DIFFRACTION	98.7216946676
3.5528-3.9094	0.227308462295	171	0.194734057904	2547	X-RAY DIFFRACTION	98.7645348837
3.9094-4.4729	0.223993498228	150	0.173560044292	2553	X-RAY DIFFRACTION	98.8299817185
4.4729-5.6268	0.20800313543	146	0.185872674375	2507	X-RAY DIFFRACTION	96.4376590331
5.6268-26.8927	0.288558819077	106	0.254168605452	2657	X-RAY DIFFRACTION	98.1178977273

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	5.4185441639	1.0556083151	0.291477039564	3.09918817794	1.38372845059	7.48966327081	-0.231167763826	0.272935893125	-0.371410601326	-0.406854145559	0.359937722861	-0.680244007674	0.116616500698	0.424386036943	-0.158166602951	0.477426478613	0.00733680102464	0.025429686955	0.31308638983	-0.105573192075	0.453154976734	-11.8881606807	2.32134300906	-47.3405169393
2	9.33384163461	0.504394116514	3.49073174656	3.88716419594	1.66304344196	8.80344705585	-0.262732565132	-0.0331033195002	-0.291079938199	0.316249880274	0.556655272339	-0.905354761655	-0.0593306619054	0.68072104737	-0.361347596654	0.677665040061	0.139311350656	-0.0119304132775	0.462318649547	-0.0852328415179	0.65012311563	-3.07855770633	-6.53024160066	-42.2445117132
3	4.0718154381	-1.37493881224	1.35729503751	6.49759961551	-0.710308394774	3.4611934004	0.0015860388799	-0.0665678698663	-0.417704527846	1.00365466136	0.114595692991	-0.717425209599	0.713838118398	0.271841191479	-0.015450544429	0.678453905468	0.0367349907052	-0.121505219004	0.304164167032	-0.0278583145018	0.447494775916	-10.3484483782	-0.785744013496	-34.0901274601
4	5.76256599411	-0.0825832396241	2.31783848559	6.05149915784	-0.847245424397	5.71575504572	0.133451810783	-0.303140200751	-0.422459461472	0.252385409513	0.233476220691	0.210928157407	0.564895066037	0.32767050373	-0.552936842988	0.560070783123	-0.0229187870778	0.00281733146597	0.319328405643	-0.00385274634188	0.317681556544	-14.2720091708	-0.755991567978	-37.727882651
5	5.80640311396	-1.9937572375	1.61569007684	5.90494311453	-3.96338419058	4.9874563649	-0.0972282493643	0.569469135547	0.0625505595807	-1.07927157945	0.292473286752	-0.446309256459	-0.362141001861	0.46563896635	-0.29380539854	0.780351902324	-0.145614782759	0.124714777035	0.551545667851	-0.102636942939	0.395823556062	-13.9189928207	0.335637834485	-56.327892305
6	6.42361545067	-0.59098190145	-0.914575122417	2.36880220996	-0.479334071989	8.50136715078	-0.0464117246593	0.413875538801	0.327178270107	0.38387674063	0.353499102672	0.402824572547	-0.693410332568	-0.237461418176	-0.377512336757	0.564107811394	-0.114277532378	-0.0480109486994	0.419311609261	-0.0203595702059	0.526897212413	-24.6668419256	5.24396334919	-51.8674809062
7	3.04172604658	1.70989000173	4.18180672216	6.14361787452	4.29887822696	6.56576260835	-0.65131812602	0.350642551234	0.559459777608	-2.53065842744	0.35820420801	-0.518161624627	-0.87668750584	1.62290030364	1.08403597187	0.840540543961	-0.183081422067	-0.0481145618828	0.715026734664	0.113558588559	0.623820532226	-22.291768384	2.6046690957	-66.1932433548
8	6.52997650602	-1.75951913904	-4.57825609054	2.77490935592	3.87560373109	8.02885797323	0.751020829689	-0.144075426514	-0.729122501411	-0.341788651481	-0.965493385197	0.729362933296	-0.382825310786	-1.07791794909	0.107922148642	0.616797675964	-0.0846839492671	0.0602131756787	0.814446982799	-0.136340336689	0.662816135449	-35.5307664517	-2.5892561283	-58.8671812523
9	5.00300036989	-2.49062443369	-1.14254527606	5.40282316357	3.80253185928	4.81529364063	0.0211553779373	0.145711592109	0.255568552258	-0.510087456964	-0.366609000258	0.374033221486	-0.47840138293	-0.509511714604	0.332980954728	0.476279882543	-0.0163561219911	-0.0471728636025	0.481790053484	-0.0626412197914	0.48152123854	-25.3247699363	-4.41301733009	-59.9382331381
10	7.38626868254	-7.01739199133	1.02667618625	9.49250535547	-0.576575796565	5.90036203894	-0.360984385258	-0.019875604838	0.578644704964	-0.286036676403	0.103108879921	-0.102780169961	-0.18326376171	-0.314148095467	0.00447333058562	0.494329388252	-0.0796410850452	-0.0295201773637	0.389243903049	-0.045753999083	0.44855407766	-24.910085212	-1.9920975239	-54.5920918327
11	4.44691534721	1.15772495726	1.84971412185	3.41950140017	3.24507372621	3.24876217428	0.751855014414	-1.52765375231	1.43431048971	1.40393372443	0.144557771687	1.00843125622	1.72031036325	-1.10514749457	-0.404269305505	0.938764699245	-0.114099867018	0.0545960821536	0.528187373721	0.163137890379	0.653203113387	-26.3947937933	-27.101279541	-59.6627382113
12	9.77232341824	5.00969945238	-2.1606546496	2.09750269727	-4.80530501461	2.60928794712	-0.1555220303	-0.27176999118	-0.0692525877599	0.284360566104	0.250529655056	1.19576035513	-0.570950875672	-0.284915299474	-0.184428844845	0.633345097358	0.0440860700849	0.0548316094926	0.652638418923	0.0825166787799	0.700853114385	-10.0227205324	5.8374527176	-1.04654378552
13	4.88904937309	-0.266195944706	0.63884500432	8.61680363638	-2.87881939054	6.36721710785	0.485378444038	-0.18053608023	-0.530727246602	0.146368735692	-0.0673007737617	0.63485121172	0.0845965366786	-0.61762014777	-0.344118728648	0.46470462716	-0.00341021060368	-0.0227817729916	0.449899553305	0.0764738624212	0.328293057676	-8.65881297649	0.908830910577	-6.88028365872
14	3.1852547393	1.81895441265	1.96408806934	8.52201477917	-0.0874214004264	5.01562924797	0.1988608033	-0.284115481227	-0.367575081523	-0.606099166194	0.173277824522	0.580261167957	0.528020605196	-0.554789365233	-0.226096601002	0.47394992924	-0.00134065728976	-0.063124936516	0.386410935549	0.0726326645259	0.426602280645	-9.20246916858	2.91921031782	-16.2007193377
15	5.18824433957	0.555844339234	-0.736634969747	6.81764456559	-0.358506938765	3.59987064238	-0.163003028305	0.211030280318	-0.621663675869	-0.508494413832	0.529599836811	-0.23339013929	0.255189187847	-0.607351409336	-0.494770260148	0.602768333805	-0.0984494741855	-0.0958885065688	0.397114386375	0.0523021685357	0.345863306352	-4.69246071115	2.71933527879	-13.1956536831
16	6.6634945074	0.0909148860489	0.0664340734011	3.95248451283	4.28133436567	5.31875123415	-0.135255677962	-0.785517298199	0.511862081675	0.314404491266	0.436448510865	0.522926227787	-0.755498058434	-0.0484776603671	-0.321030223443	0.738632167378	-0.0498700489253	-0.0181742699391	0.535262171686	0.0870959605234	0.43077081856	-2.28300269225	4.4018509692	5.06359261081
17	9.30571071367	0.470596772232	2.26436225174	6.86307611166	0.213042020116	7.37053069811	0.429305299573	0.613649059574	0.207626217987	0.47902917038	-0.277984693996	-1.05300391539	-0.465721182937	0.553140678736	-0.358958739109	0.50534905629	-0.0480938681061	-0.0701296511325	0.482414396891	0.178851375583	0.517323105992	6.44930247905	5.65133798603	-4.55109548827
18	8.22520123382	-4.70469273574	2.98016844683	4.44465031823	-0.873952986955	4.60271360336	-0.465957849432	-0.391751680156	0.609545276874	0.240549555564	-0.246195658129	-0.171993974621	-1.17526560712	0.47831170887	0.84659384347	0.761585980181	-0.118691883488	-0.179088853882	0.654854365911	0.100932290096	0.726912790109	12.8614898805	4.90937033157	8.5815888021
19	6.84787808599	2.21222384191	-2.21639435218	5.83280845331	-3.41773901027	4.76071514344	-0.214627417923	0.0570193011498	0.823860426988	0.2894743917	-0.208306305708	-0.170000160595	-0.589604717809	0.77444478799	0.215814653493	0.501288832597	-0.0832031547222	-0.162404303281	0.452797902587	0.106690523217	0.468470006761	9.36791369064	-1.27961579119	7.18729071458
20	6.08616940742	5.29984974398	-1.7924531371	8.8194461229	-2.78762949023	4.249311389	-0.425425956707	0.510200402043	0.810526538983	0.879232272819	0.0523195283383	-0.895699089794	-0.845753567002	0.309550029691	0.105713075302	0.535036049417	-0.0994973559174	-0.178201135873	0.477830790449	0.247551890791	0.700778398951	8.2272944455	1.26617621721	1.90398379836
21	1.56778246786	1.90728532492	-0.312165250618	2.73052156823	-1.07555388052	3.61549117945	0.154273260122	0.544935404447	0.488778738518	-0.743013995403	-0.889577644509	-1.83702444415	0.333219548424	1.00427401688	-0.110465459994	0.703915974947	-0.0808840127454	0.116400738355	0.581520131007	0.0598887515291	0.771470306095	9.04864142994	-22.1264453563	6.21578978372
22	4.94304069225	-1.15462530345	-3.27507877564	4.52395737874	-1.69842709232	8.43764687567	-0.122613961306	0.458709473571	-0.492916301885	-0.282495240256	0.230304923842	-0.0670405904703	0.98531424634	-0.252417445801	-0.221354767099	0.41281509687	-0.0398925450119	-0.0815935613797	0.504945043507	-0.00432194524139	0.522448206295	-37.684723096	22.9322705925	-29.5713438482
23	5.82905907024	-3.19594604571	-1.07171800238	7.90404560528	0.46994766202	7.30429373333	-0.187316206345	0.88983249708	-0.44329627049	-0.0808433028188	0.512323949333	0.200318964238	0.842690065507	-1.01261875135	-0.00368272920556	0.572231390946	-0.149998715521	-0.0907814277095	0.805151171353	0.00198918697439	0.445431371828	-45.8948831568	24.4344841213	-40.7528803572
24	5.97238810969	0.751138508525	-4.81592985641	3.08812775702	-0.825611916073	7.79200792644	0.266773786253	0.854737286085	0.265719567798	-0.155773992873	-0.179099373242	-0.0579100709218	-0.167581356426	-0.0847187460029	0.0318826201728	0.36026715199	0.00268924873343	-0.0512195440755	0.738312784291	0.10565137025	0.449454405485	-45.5392708322	29.7585880356	-36.0353805932
25	3.15367808117	1.35579986109	-3.63549215455	3.4239113641	0.70671284296	7.8035619116	0.592664812862	0.476316557383	-0.262727411358	-0.0459376182659	-0.485838727237	0.0617556319418	-1.03987982653	0.330253225799	-0.270768128168	0.364937621891	-0.00670129169746	-0.0137439583631	0.588517562436	0.109361743926	0.566755811726	-43.3200834236	30.4984809075	-32.4567801199
26	7.0281056187	1.606314898	-7.51746083232	3.18824739582	-2.89416869155	9.03633353474	-0.517732757064	-0.55548423108	-0.449350021297	0.606951967075	0.228893296723	-0.253361173934	1.05246503282	0.167840392919	0.424987748104	0.84216863104	-0.0194357348791	-0.118541785597	0.763843250752	0.174559650806	0.82484541074	-32.9267987041	17.8787217176	-21.215593705
27	3.7769193068	-1.74148860257	-2.10413483522	4.57891162488	0.740121262703	1.51155296155	0.135906873279	-0.438523021016	-0.159973412924	0.116942750232	-0.0201245457858	0.158184355725	0.0494289696835	-0.48136162973	0.0192360520284	0.412962238702	-0.042184480684	-0.113450742416	0.752146736372	-0.0382234916664	0.49163471285	-33.7710291973	27.0334030859	-21.2426475544
28	4.96231730061	4.24103525937	-3.81913936936	3.86086694428	-3.15898315529	2.8324363352	0.373934642722	-1.58669441291	-0.518157797568	0.847065617671	0.0598822248528	-0.25482173935	0.311959325986	0.383491022278	-0.397863093667	0.845945792448	0.0108369259568	-0.23368663658	0.953003857836	0.0785537584145	0.731215853209	-22.7606185753	22.0215105862	-12.7994948541
29	4.90821462043	-1.57304397409	-2.18285442858	7.40385939092	4.10790377391	3.48771062092	0.0772471559214	-0.668763620962	0.099509048215	0.104456925422	-0.046066101736	0.138307026914	0.208728406583	-0.023995677712	-0.347794401509	0.461258933999	0.158963889011	-0.148095350826	0.775720539177	-0.108872293131	0.478614359628	-21.6003181067	29.9162657147	-17.2953259042
30	6.19349968845	-0.7555494355	-0.370040466793	2.31199067997	1.15446629983	2.06125841767	0.371254938596	-0.874776818058	0.172785894931	0.482505244954	-0.0399715404821	-0.27585122864	-0.0160130825761	0.182303699667	-0.144268367435	0.481061538939	0.0254183232099	-0.108814742885	0.693249036384	-0.114170071202	0.531001240595	-25.3297651753	29.3166049384	-17.6991256294

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 1 through 25 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 26 through 40 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 41 through 81 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 82 through 96 )
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 1 through 20 )
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 21 through 34 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 35 through 44 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 45 through 55 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 56 through 81 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 82 through 94 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 95 through 100 )
12	X-RAY DIFFRACTION	12	chain 'C' and (resid 1 through 15 )
13	X-RAY DIFFRACTION	13	chain 'C' and (resid 16 through 40 )
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 41 through 81 )
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 82 through 96 )
16	X-RAY DIFFRACTION	16	chain 'D' and (resid 1 through 20 )
17	X-RAY DIFFRACTION	17	chain 'D' and (resid 21 through 29 )
18	X-RAY DIFFRACTION	18	chain 'D' and (resid 30 through 55 )
19	X-RAY DIFFRACTION	19	chain 'D' and (resid 56 through 81 )
20	X-RAY DIFFRACTION	20	chain 'D' and (resid 82 through 94 )
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 95 through 99 )
22	X-RAY DIFFRACTION	22	chain 'E' and (resid 1 through 29 )
23	X-RAY DIFFRACTION	23	chain 'E' and (resid 30 through 51 )
24	X-RAY DIFFRACTION	24	chain 'E' and (resid 52 through 81 )
25	X-RAY DIFFRACTION	25	chain 'E' and (resid 82 through 96 )
26	X-RAY DIFFRACTION	26	chain 'F' and (resid 1 through 15 )
27	X-RAY DIFFRACTION	27	chain 'F' and (resid 16 through 33 )
28	X-RAY DIFFRACTION	28	chain 'F' and (resid 34 through 48 )
29	X-RAY DIFFRACTION	29	chain 'F' and (resid 49 through 67 )
30	X-RAY DIFFRACTION	30	chain 'F' and (resid 68 through 99 )

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