PDB-7ox8: Target-bound SpCas9 complex with TRAC full RNA guide

ID or keywords:

Entry

Database: PDB / ID: 7ox8

Title

Target-bound SpCas9 complex with TRAC full RNA guide

Components

CRISPR-associated endonuclease Cas9/Csn1
TRAC non-target DNA strand
TRAC target DNA strand
sgRNA

Keywords

HYDROLASE / Cas9 / CRISPR / sgRNA / TRAC / nuclease

Function / homology

Function and homology information

maintenance of CRISPR repeat elements / 3'-5' exonuclease activity / DNA endonuclease activity / defense response to virus / Hydrolases; Acting on ester bonds / DNA binding / RNA binding / metal ion binding
Similarity search - Function

Biological species

Streptococcus pyogenes serotype M1 (bacteria)
synthetic construct (others)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.75 Å

Authors

Donohoue, P. / Pacesa, M. / Lau, E. / Vidal, B. / Irby, M.J. / Nyer, D.B. / Rotstein, T. / Banh, L. / Toh, M.T. / Gibson, J. ...

Funding support

Switzerland, 1items

Citation

Journal: Mol.Cell / Year: 2021
Title: Conformational control of Cas9 by CRISPR hybrid RNA-DNA guides mitigates off-target activity in T cells.
Authors: Donohoue, P.D. / Pacesa, M. / Lau, E. / Vidal, B. / Irby, M.J. / Nyer, D.B. / Rotstein, T. / Banh, L. / Toh, M.S. / Gibson, J. / Kohrs, B. / Baek, K. / Owen, A.L.G. / Slorach, E.M. / van ...

History

Deposition	Jun 22, 2021	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Sep 15, 2021	Provider: repository / Type: Initial release
Revision 1.1	Jan 31, 2024	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	7ox8.cif.gz	833.1 KB	Display	PDBx/mmCIF format
PDB format	pdb7ox8.ent.gz	563.8 KB	Display	PDB format
PDBx/mmJSON format	7ox8.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	7ox8_validation.pdf.gz	346.7 KB	Display	wwPDB validaton report
Full document	7ox8_full_validation.pdf.gz	362.4 KB	Display
Data in XML	7ox8_validation.xml.gz	50 KB	Display
Data in CIF	7ox8_validation.cif.gz	70.6 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ox/7ox8 ftp://data.pdbj.org/pub/pdb/validation_reports/ox/7ox8	HTTPS FTP

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Related structure data

Related structure data	7ox7C 7ox9C 7oxaC 5fq5S S: Starting model for refinement C: citing same article (ref.)
Similar structure data	5fw2-d 6k4q-d 6k4p-d 5fw3-d 6k57-d 6k4u-d 5fw1-d 5b2s-d 5fq5-d 5b2r-d 4un5-d 7ox9-d 6k3z-d 7ox7-d 7oxa-d 5b2t-d Search similar-shape structures by Omokage search (details) 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	#181 - Jan 2015 Cascade and CRISPR similarity (16) #253 - Jan 2021 Expressome similarity (2) #121 - Jan 2010 70S Ribosomes similarity (1) #130 - Oct 2010 Riboswitches similarity (1) #16 - Apr 2001 Aminoacyl-tRNA Synthetases similarity (1) #67 - Jul 2005 TATA-Binding Protein similarity (1) #157 - Jan 2013 Transfer-Messenger RNA similarity (1) #168 - Dec 2013 DNA Helicase similarity (1) #255 - Mar 2021 Cisplatin and DNA similarity (1) #87 - Mar 2007 Zinc Fingers similarity (2) #91 - Jul 2007 Thymine Dimers similarity (1) #229 - Jan 2019 Fluorescent RNA Aptamers similarity (1) #260 - Aug 2021 Ribonuclease P similarity (1) #122 - Feb 2010 Enhanceosome similarity (1) #172 - Apr 2014 RecA and Rad51 similarity (1) #227 - Nov 2018 Telomerase similarity (2) #146 - Feb 2012 Aminoglycoside Antibiotics similarity (1) #15 - Mar 2001 Transfer RNA similarity (1) #249 - Sep 2020 SARS-CoV-2 RNA-dependent RNA Polymerase similarity (1) #112 - Apr 2009 Oct and Sox Transcription Factors similarity (1) #135 - Mar 2011 Integrase similarity (1) #150 - Jun 2012 Sliding Clamps similarity (1) #180 - Dec 2014 TAL Effectors similarity (1) #48 - Dec 2003 Catabolite Activator Protein similarity (1) #84 - Dec 2006 Transposase similarity (1) #10 - Oct 2000 Ribosome similarity (1) #210 - Jun 2017 Adenine Riboswitch in Action similarity (1) #139 - Jul 2011 DNA Methyltransferase similarity (1) #155 - Nov 2012 Vitamin D Receptor similarity (1) #3 - Mar 2000 DNA Polymerase similarity (1) #40 - Apr 2003 RNA Polymerase similarity (1) #73 - Jan 2006 Topoisomerase similarity (1) #105 - Sep 2008 Ribonuclease A similarity (1) #226 - Oct 2018 Aminoglycoside Antibiotics and Resistance similarity (1) #245 - May 2020 Spliceosomes similarity (1) #262 - Oct 2021 Fifty Years of Open Access to PDB Structures similarity (1) #65 - May 2005 Self-splicing RNA similarity (1) #98 - Feb 2008 Small Interfering RNA similarity (1) #119 - Nov 2009 Designed DNA Crystal similarity (1) #125 - May 2010 Parvoviruses similarity (1) #131 - Nov 2010 Inteins similarity (1) #160 - Apr 2013 Actinomycin similarity (1) #190 - Oct 2015 Two-component Systems similarity (1) #23 - Nov 2001 DNA similarity (1) #240 - Dec 2019 Hypoxia-Inducible Factors similarity (1) #257 - May 2021 Fetal Hemoglobin similarity (1) #258 - Jun 2021 Glucocorticoid Receptor and Dexamethasone similarity (1) #31 - Jul 2002 p53 Tumor Suppressor similarity (1) #33 - Sep 2002 HIV Reverse Transcriptase similarity (1) #39 - Mar 2003 lac Repressor similarity (1) #45 - Sep 2003 Estrogen Receptor similarity (1) #55 - Jul 2004 DNA Ligase similarity (1) #7 - Jul 2000 Nucleosome similarity (1) #8 - Aug 2000 Restriction Enzymes similarity (1) #92 - Aug 2007 Anabolic Steroids similarity (1) #104 - Aug 2008 Selenocysteine Synthase similarity (1) #106 - Oct 2008 Poly(A) Polymerase similarity (1) #143 - Nov 2011 Toll-like Receptors similarity (1) #161 - May 2013 Ricin similarity (1) #230 - Feb 2019 Initiation Factor eIF4E similarity (1) #266 - Feb 2022 Oligosaccharyltransferase similarity (1) #81 - Sep 2006 Elongation Factors similarity (1) #89 - May 2007 Aconitase and Iron Regulatory Protein 1 similarity (1) #241 - Jan 2020 Twenty Years of Molecules similarity (2)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

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Deposited unit

A: sgRNA

B: CRISPR-associated endonuclease Cas9/Csn1

C: TRAC target DNA strand

D: TRAC non-target DNA strand

hetero molecules

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

1

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

Unit cell

Length a, b, c (Å)	178.177, 67.549, 187.854
Angle α, β, γ (deg.)	90.000, 111.230, 90.000
Int Tables number	5
Space group name H-M	C121
Space group name Hall	C2y
Symmetry operation	#1: x,y,z #2: -x,y,-z #3: x+1/2,y+1/2,z #4: -x+1/2,y+1/2,-z

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DNA chain , 2 types, 2 molecules CD

#3: DNA chain	TRAC target DNA strand Mass: 8574.544 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#4: DNA chain	TRAC non-target DNA strand Mass: 3677.415 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)

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RNA chain / Protein , 2 types, 2 molecules AB

#1: RNA chain	sgRNA Mass: 27133.156 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#2: Protein	CRISPR-associated endonuclease Cas9/Csn1 / SpCas9 / SpyCas9 Mass: 158875.031 Da / Num. of mol.: 1 / Mutation: D10A, H840A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptococcus pyogenes serotype M1 (bacteria) Gene: cas9, csn1, SPy_1046 / Plasmid: pMJ841 / Production host: Escherichia coli (E. coli) / Strain (production host): Rosetta 2(DE3) References: UniProt: Q99ZW2, Hydrolases; Acting on ester bonds

#1: RNA chain

sgRNA

Mass: 27133.156 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)

#2: Protein

CRISPR-associated endonuclease Cas9/Csn1 / SpCas9 / SpyCas9

Mass: 158875.031 Da / Num. of mol.: 1 / Mutation: D10A, H840A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Streptococcus pyogenes serotype M1 (bacteria)
Gene: cas9, csn1, SPy_1046 / Plasmid: pMJ841 / Production host:

Escherichia coli (E. coli) / Strain (production host): Rosetta 2(DE3)
References: UniProt: Q99ZW2, Hydrolases; Acting on ester bonds

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Non-polymers , 3 types, 151 molecules

#5: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Mg
#6: Chemical	ChemComp-K / POTASSIUM ION Mass: 39.098 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: K
#7: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 137 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	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: 2.66 Å³/Da / Density % sol: 53.72 %
Crystal grow	Temperature: 293.15 K / Method: vapor diffusion, hanging drop / pH: 8.5 Details: 0.1 M Tris-acetate pH 8.5, 0.3-0.5 M KSCN, 17-19% PEG3350

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 1 Å
Detector	Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jun 15, 2018
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.75→47.91 Å / Num. obs: 54164 / % possible obs: 98.89 % / Redundancy: 6.8 % / B_iso Wilson estimate: 69.26 Å² / CC_1/2: 0.997 / R_merge(I) obs: 0.1792 / Net I/σ(I): 8.53
Reflection shell	Resolution: 2.75→2.848 Å / Redundancy: 7.1 % / R_merge(I) obs: 1.958 / Mean I/σ(I) obs: 0.83 / Num. unique obs: 5394 / CC_1/2: 0.6 / % possible all: 99.13

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Processing

Software

Name	Version	Classification
Coot		model building
PHENIX	1.17.1_3660	refinement
XDS		data reduction
XSCALE		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 5FQ5

5fq5

Resolution: 2.75→47.91 Å / SU ML: 0.4166 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 31.5346
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2476	2707	5.01 %
R_work	0.2091	51371	-
obs	0.2111	54078	98.88 %

Solvent computation

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

Displacement parameters

B_iso mean: 82.25 Å²

Refinement step

Cycle: LAST / Resolution: 2.75→47.91 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	10875	2532	14	137	13558

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0042	13901
X-RAY DIFFRACTION	f_angle_d	0.6718	19268
X-RAY DIFFRACTION	f_chiral_restr	0.043	2199
X-RAY DIFFRACTION	f_plane_restr	0.0036	2025
X-RAY DIFFRACTION	f_dihedral_angle_d	17.4302	5634

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 (%)
2.75-2.8	0.4736	143	0.4272	2725	X-RAY DIFFRACTION	99.1
2.8-2.85	0.3871	139	0.3765	2634	X-RAY DIFFRACTION	99.14
2.85-2.91	0.3785	150	0.3534	2701	X-RAY DIFFRACTION	99.17
2.91-2.98	0.3686	142	0.3352	2703	X-RAY DIFFRACTION	99.03
2.98-3.04	0.3656	132	0.3283	2651	X-RAY DIFFRACTION	97.99
3.04-3.12	0.298	142	0.3141	2598	X-RAY DIFFRACTION	96.72
3.12-3.21	0.3319	135	0.2767	2726	X-RAY DIFFRACTION	99.13
3.21-3.3	0.2856	149	0.251	2698	X-RAY DIFFRACTION	99.3
3.3-3.41	0.2874	142	0.2323	2704	X-RAY DIFFRACTION	99.27
3.41-3.53	0.2747	143	0.2273	2691	X-RAY DIFFRACTION	99.44
3.53-3.67	0.2299	143	0.2177	2696	X-RAY DIFFRACTION	99.2
3.67-3.84	0.2494	143	0.2082	2718	X-RAY DIFFRACTION	99.48
3.84-4.04	0.2346	140	0.1858	2687	X-RAY DIFFRACTION	99.44
4.04-4.29	0.2381	145	0.185	2712	X-RAY DIFFRACTION	98.93
4.29-4.62	0.2103	140	0.1761	2654	X-RAY DIFFRACTION	96.91
4.62-5.09	0.2036	143	0.1558	2750	X-RAY DIFFRACTION	99.52
5.09-5.82	0.2271	142	0.1638	2726	X-RAY DIFFRACTION	99.27
5.82-7.33	0.2294	149	0.1918	2789	X-RAY DIFFRACTION	99.73
7.33-47.91	0.1919	145	0.1713	2808	X-RAY DIFFRACTION	97.98

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	0.330039992591	0.00998681025715	0.145979878604	0.190001287421	-0.023035982377	0.585307219277	-0.0912511100786	-0.102470045215	0.018791704755	0.11764908798	0.0234310441948	0.0262933041008	-0.151483668967	-0.0979695632517	7.80538108443E-6	0.581211079123	0.035174708066	0.0396616132741	0.499166655989	-0.0142945108624	0.58176705374	-6.3247459055	19.2157725247	73.7670397435
2	0.660991848766	-0.584759998593	0.0958251373215	0.367728753786	-0.195977888056	0.695502014785	-0.0397350863168	-0.0632160531101	-0.11912476663	0.0718969598229	0.0201439994395	0.0463716015004	0.130915531586	0.0421095413155	-1.10273980497E-5	0.607604901113	-0.0109132565258	-0.0208522308302	0.572186084251	-0.0766351782689	0.646326299646	-11.0439981134	-11.9202012728	66.5411052495
3	0.534154431055	0.0683321648233	0.0471945833616	0.260849407959	0.0264047696534	0.400588110071	-0.0700766847068	0.126400722825	-0.0392708083726	0.0223708814045	0.0580237776347	0.0145655127404	0.292114731683	-0.201487831573	1.54201596235E-6	0.478993167678	-0.106631436355	0.0328165175924	0.405882942209	-0.0330043781668	0.408594610203	-29.3028043856	-13.7638546526	40.5248775896
4	0.0241705303098	-0.00607001172118	-0.0108855060204	0.0145263529349	0.0155935574192	0.0157627718068	-0.0604844333123	0.151599287869	-0.448054445815	0.256861087567	-0.0290410168488	0.00521586302013	-0.0556250169126	-0.338342156446	0.000205553095929	1.05055490906	-0.494320013555	-0.0251103557465	1.81595207332	-0.316597027083	1.10193650251	-15.9935053671	-21.49678657	19.227642724
5	0.0235468193908	0.0132132230576	-0.0191188870508	0.0403153329932	-0.0412337069009	0.0425151236785	0.198910515449	-0.0679742608881	-0.205633143377	0.167851454863	-0.228812832676	0.113434371714	0.197623955276	-0.0297838538853	-0.000543749567625	0.630475166673	-0.0463815093649	-0.0388765187329	0.780605370022	-0.190443999194	0.692192109051	-2.75463188225	-9.40116348455	31.3053749049
6	-0.0492927507	-0.0502803021003	-0.0414573579997	-0.0522267104119	0.15701962253	0.0880652942472	-0.0244350078674	-0.127433089431	0.324319137738	-0.126817434443	0.379851456551	0.0554392904958	0.433105467236	-0.0335883823937	3.52553081223E-5	0.701866993956	-0.0599807116703	0.0400308210235	0.724224382714	0.0447738346745	0.619834970671	-7.37064132758	5.2812745287	65.2717918496
7	1.02430447216	-0.00966607569689	-0.672827456016	0.00355580683537	0.0150093588997	0.431999255159	0.465370423524	1.04185673704	-0.252169735449	-0.175256096642	0.140234020552	-0.11391746419	0.26044149565	-0.160976028102	0.0907684878568	0.666060180743	-0.0865417326883	-0.0355959828626	0.765525407333	-0.235165423495	0.64757277159	-11.7293409654	-14.3159504179	23.5671493753
8	0.102892260143	-0.111062075118	0.110847542191	0.0939904014612	-0.0924244225683	0.101101038978	-0.284816427727	0.217023664381	0.0609894246009	0.190108748506	0.00647843135516	0.37208832501	1.03230509244	-0.543614995708	-0.00028996849674	0.753718456834	-0.0972698069531	0.0453229465212	0.755949923753	-0.110332697578	0.872016579336	-15.011462326	6.79456418457	74.3623593704
9	-0.017583778337	-0.0225095883759	-0.031329822761	0.262667794162	-0.055926507177	-0.0219700984818	0.0252969114422	-0.0814795712976	0.2567166583	0.163785953186	0.240449636847	-0.00695433524754	0.303975276147	0.220017209203	-2.16051689536E-5	0.580499606862	0.0106929714919	-0.00534343902628	0.632037844922	0.00750206265537	0.516816607135	5.34023032127	3.88639309779	37.1251860876
10	0.00392107132746	-0.0115843590941	-0.00364402435386	0.04046942512	0.0245816789128	0.00783031376808	0.294739707104	0.241063784335	0.419952176127	-0.0546110084128	0.10790725569	0.297167041859	0.0209513138512	0.104453321335	-0.000814256754835	1.14735587085	0.263489851858	-0.0918257197456	1.30856543354	-0.34327275846	0.844591359	26.1889379785	-13.0283224121	3.55851757172
11	0.0123031539824	0.0120475349709	0.0135264440177	0.015743789992	0.0177556713529	0.0290056651431	0.0987137573882	0.0571297572575	0.176133382584	-0.699906431691	-0.101687788516	0.734174996524	-0.197280163527	-0.0377423890331	0.000155499376735	1.81416996986	0.225538983654	-0.243888521951	1.78270910011	0.0222557038135	1.27405736782	18.2772462759	-18.9008018214	-0.442502029479
12	0.0277730385599	0.0594816791951	-0.0521986899898	0.0937057798981	-0.131094785611	0.180201216197	0.0146968663897	0.332690866419	-0.066943563985	0.0626899025468	0.0681826376716	0.258293981264	0.253925205	-0.108135136002	0.000154527337925	0.624310206253	0.000413988239203	-0.0507201423551	0.594168400939	-0.153295410746	0.465652839905	21.6615970695	-5.8275556991	20.3127734628
13	0.212090776505	0.181591740899	0.133484510727	0.159070340659	0.139689520685	0.152887004894	0.0100691276339	0.0482705541806	-0.144832108477	-0.0374845716241	0.014660032394	0.0777168480588	0.0413717138017	-0.0383015603111	9.42824920656E-5	0.506506483862	0.0039095571432	-0.0972503297083	0.505302732399	-0.027574211796	0.512047755813	-4.41362552484	17.5142678598	27.8162404011
14	0.0819010569522	-0.13865565837	-0.0414626641715	0.215530037577	-0.0397567600323	0.159725349782	0.179844727201	-0.216304268787	0.358944751107	0.251306559141	-0.259913873874	0.193400886297	-0.222601194025	-0.219967921091	0.000306038259238	0.58990576617	-0.0485420844744	-0.0140521137673	0.595721778031	0.0463012382877	0.592087623232	-14.4131522047	11.5587246182	37.2660497827
15	0.0265125082651	-0.0257611306771	0.0152042938336	0.0207274341098	0.00431346787843	0.0182463411131	0.31867847453	0.382138982833	0.815858433131	-0.283093666834	0.0228090289693	0.34752184811	-0.961731299775	0.308427470117	0.000752835198147	1.0641618067	0.0492439829283	0.099087949718	0.822462828237	0.158090002934	1.20059746302	-40.0562244072	13.4433791674	29.6503372525
16	0.0873319129566	-0.0948381939213	0.0581503912891	0.0881210528899	-0.0583746291673	0.0321293670946	0.0313017105322	0.136157156762	-0.228806086345	-0.220417270883	-0.274453336352	0.111676279699	-0.594535934925	0.134419817011	3.7895876001E-5	1.01420694114	-0.177616831205	0.000431086297517	1.35804438833	0.043983803877	0.987612488908	-39.2910643127	15.7301215869	36.086044528
17	0.218677408309	0.305833750185	0.0546749190435	0.0781994771565	-0.252027804935	0.640934868915	0.0972010057705	0.0903253968708	0.0404997334378	0.0600405930697	-0.089250470588	0.0400701818404	-0.0201145356053	0.224810759654	1.06542425546E-5	0.489903432105	-0.0812528143271	0.0228443529349	0.554357047649	-0.0508474897204	0.540187410704	5.78174884616	6.35299347329	37.277558229
18	0.500265456235	-0.499739759731	0.787656104255	0.271291012995	-0.68060310462	0.899464754216	-0.146224538889	0.161168835277	-0.0144010542802	0.207714512636	-0.0428955528279	-0.0639888910602	-0.338835309872	-0.347719556805	-4.56978321688E-5	0.8140028141	0.129111566084	-0.0413632263305	0.84542403873	-0.108321881883	0.761930646659	26.1370818467	-3.61554415899	56.5218694061
19	0.41311455528	-0.215097828248	-0.0800023357529	-0.028433401768	-0.0509158604164	1.22338836779	0.0481031265011	0.00923175155873	0.0623358633896	0.0848312366657	-0.00836863135685	-0.00415378530369	-0.139990247211	0.144548952801	-1.16741117695E-5	0.350742990356	-0.0775879880117	-0.0151676925572	0.43956427346	0.0137878793426	0.426805692436	9.08487850238	9.05774544828	52.9440972681

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'B' and (resid 567 through 750 )
2	X-RAY DIFFRACTION	2	chain 'B' and (resid 751 through 953 )
3	X-RAY DIFFRACTION	3	chain 'B' and (resid 954 through 1366 )
4	X-RAY DIFFRACTION	4	chain 'C' and (resid -7 through -3 )
5	X-RAY DIFFRACTION	5	chain 'C' and (resid -2 through 2 )
6	X-RAY DIFFRACTION	6	chain 'C' and (resid 3 through 20 )
7	X-RAY DIFFRACTION	7	chain 'D' and (resid -2 through 7 )
8	X-RAY DIFFRACTION	8	chain 'A' and (resid -1 through 8 )
9	X-RAY DIFFRACTION	9	chain 'A' and (resid 9 through 28 )
10	X-RAY DIFFRACTION	10	chain 'A' and (resid 29 through 33 )
11	X-RAY DIFFRACTION	11	chain 'A' and (resid 34 through 38 )
12	X-RAY DIFFRACTION	12	chain 'A' and (resid 39 through 48 )
13	X-RAY DIFFRACTION	13	chain 'A' and (resid 49 through 58 )
14	X-RAY DIFFRACTION	14	chain 'A' and (resid 59 through 68 )
15	X-RAY DIFFRACTION	15	chain 'A' and (resid 69 through 73 )
16	X-RAY DIFFRACTION	16	chain 'A' and (resid 74 through 82 )
17	X-RAY DIFFRACTION	17	chain 'B' and (resid 3 through 207 )
18	X-RAY DIFFRACTION	18	chain 'B' and (resid 208 through 342 )
19	X-RAY DIFFRACTION	19	chain 'B' and (resid 343 through 566 )

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