PDB-5fq5: Crystal structure of Cas9-sgRNA-DNA complex solved by native SAD ...

ID or keywords:

Entry

Database: PDB / ID: 5fq5

Title

Crystal structure of Cas9-sgRNA-DNA complex solved by native SAD phasing

Components

(TARGET DNA STRAND ...) x 2
CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1
NON-TARGET DNA STRAND
SGRNA

Keywords

HYDROLASE/DNA / HYDROLASE-DNA COMPLEX / CRISPR / CAS9 / GENOME EDITING / PROTEIN-RNA COMPLEX

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 (bacteria)
SYNTHETIC CONSTRUCT (others)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 2.136 Å

Authors

Olieric, V. / Weinert, T. / Finke, A. / Anders, C. / Jinek, M. / Wang, M.

Citation

Journal: Acta Crystallogr.,Sect.D / Year: 2016
Title: Data-Collection Strategy for Challenging Native Sad Phasing.
Authors: Olieric, V. / Weinert, T. / Finke, A.D. / Anders, C. / Li, D. / Olieric, N. / Borca, C.N. / Steinmetz, M.O. / Caffrey, M. / Jinek, M. / Wang, M.

History

Deposition	Dec 7, 2015	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Mar 23, 2016	Provider: repository / Type: Initial release
Revision 2.0	Oct 23, 2019	Group: Atomic model / Data collection / Other / Category: atom_site / pdbx_database_status Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _pdbx_database_status.status_code_sf
Revision 2.1	May 8, 2024	Group: Data collection / Database references / Derived calculations Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_struct_conn_angle / struct_conn / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr1_symmetry / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.ptnr3_symmetry / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr1_symmetry / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_conn.ptnr2_symmetry / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5fq5.cif.gz	977 KB	Display	PDBx/mmCIF format
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Validation report

Summary document	5fq5_validation.pdf.gz	484.2 KB	Display	wwPDB validaton report
Full document	5fq5_full_validation.pdf.gz	506.7 KB	Display
Data in XML	5fq5_validation.xml.gz	61.1 KB	Display
Data in CIF	5fq5_validation.cif.gz	92.7 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/fq/5fq5 ftp://data.pdbj.org/pub/pdb/validation_reports/fq/5fq5	HTTPS FTP

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Related structure data

Related structure data	5dwkC C: citing same article (ref.)
Similar structure data	5b2s-d 5b2r-d 5fw2-d 6k4q-d 4un5-d 6k57-d 5b2t-d 6k4p-d 4un4-d 5fw3-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: TARGET DNA STRAND PROXIMAL FRAGMENT

D: NON-TARGET DNA STRAND

E: TARGET DNA STRAND DISTAL FRAGMENT

hetero molecules

198 kDa, 5 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author&software

Unit cell

Length a, b, c (Å)	177.740, 67.570, 188.190
Angle α, β, γ (deg.)	90.00, 111.31, 90.00
Int Tables number	5
Space group name H-M	C121

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TARGET DNA STRAND ... , 2 types, 2 molecules CE

#3: DNA chain	TARGET DNA STRAND PROXIMAL FRAGMENT Mass: 3295.203 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) SYNTHETIC CONSTRUCT (others)
#5: DNA chain	TARGET DNA STRAND DISTAL FRAGMENT Mass: 5215.419 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) SYNTHETIC CONSTRUCT (others)

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RNA chain / Protein / DNA chain , 3 types, 3 molecules ABD

#1: RNA chain	SGRNA Mass: 27118.189 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) SYNTHETIC CONSTRUCT (others)
#2: Protein	CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1 / SPYCAS9 Mass: 158875.031 Da / Num. of mol.: 1 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) STREPTOCOCCUS PYOGENES (bacteria) / Gene: CAS9, CSN1, SPY_1046 / Plasmid: PEC-K-MBP / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / Variant (production host): ROSETTA2 References: UniProt: Q99ZW2, Hydrolases; Acting on ester bonds
#4: DNA chain	NON-TARGET DNA STRAND Mass: 3410.229 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) SYNTHETIC CONSTRUCT (others)

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Non-polymers , 3 types, 1123 molecules

#6: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Mg
#7: Chemical	ChemComp-K / POTASSIUM ION Mass: 39.098 Da / Num. of mol.: 13 / Source method: obtained synthetically / Formula: K
#8: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1108 / Source method: isolated from a natural source / Formula: H₂O

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Details

Sequence details	D10A, H840A POINT MUTATIONS WERE INTRODUCED TO GENERATE CATALYTICALLY INACTIVE ENZYME N-TERMINAL ...D10A, H840A POINT MUTATIONS WERE INTRODUCED TO GENERATE CATALYTICALLY INACTIVE ENZYME N-TERMINAL GAAS SEQUENCE IS DERIVED FROM THE EPXRESSION VECTOR

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 3

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Sample preparation

Crystal	Density Matthews: 2.68 Å³/Da / Density % sol: 54.1 % Description: ACTUAL RMEAS FOR HIGHEST RESOLUTION SHELL IS 1.729
Crystal grow	pH: 8.5 Details: 0.1 M TRIS-ACETATE PH 8.5, 0.3 M KSCN, 15% PEG (W/V) 3350

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SLS / Beamline: X06DA / Wavelength: 2.066
Detector	Type: DECTRIS PILATUS / Detector: PIXEL
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 2.066 Å / Relative weight: 1
Reflection	Resolution: 2.14→50 Å / Num. obs: 113763 / % possible obs: 96.7 % / Observed criterion σ(I): 0.76 / Redundancy: 148.1 % / B_iso Wilson estimate: 40.89 Å² / R_merge(I) obs: 0.14 / Net I/σ(I): 28.61
Reflection shell	Resolution: 2.14→2.19 Å / Redundancy: 8.3 % / R_merge(I) obs: 1.5 / Mean I/σ(I) obs: 0.76 / % possible all: 65

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Processing

Software

Name	Version	Classification
PHENIX	(PHENIX.REFINE)	refinement
XDS		data reduction
XSCALE		data scaling
SHELX		phasing

Refinement

Method to determine structure:

SAD
Starting model: NONE

Resolution: 2.136→47.906 Å / SU ML: 0.32 / σ(F): 1.33 / Phase error: 24.49 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2248	3834	1.8 %
R_work	0.1909	-	-
obs	0.1915	113763	96.76 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 2.136→47.906 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	10774	2466	15	1108	14363

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.011	13802
X-RAY DIFFRACTION	f_angle_d	0.657	19038
X-RAY DIFFRACTION	f_dihedral_angle_d	15.21	8079
X-RAY DIFFRACTION	f_chiral_restr	0.041	2172
X-RAY DIFFRACTION	f_plane_restr	0.003	2007

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 (%)
2.136-2.1631	0.476	74	0.4466	4538	X-RAY DIFFRACTION	54
2.1631-2.1915	0.513	102	0.4001	6220	X-RAY DIFFRACTION	76
2.1915-2.2216	0.41	140	0.3492	7700	X-RAY DIFFRACTION	93
2.2216-2.2533	0.3229	143	0.2995	7881	X-RAY DIFFRACTION	96
2.2533-2.2869	0.2966	143	0.2659	7958	X-RAY DIFFRACTION	97
2.2869-2.3227	0.2982	144	0.2479	8094	X-RAY DIFFRACTION	98
2.3227-2.3608	0.3465	146	0.2367	8105	X-RAY DIFFRACTION	99
2.3608-2.4015	0.2931	148	0.2308	8225	X-RAY DIFFRACTION	100
2.4015-2.4451	0.274	148	0.2306	8258	X-RAY DIFFRACTION	100
2.4451-2.4922	0.2526	147	0.2249	8245	X-RAY DIFFRACTION	100
2.4922-2.543	0.243	145	0.2241	8208	X-RAY DIFFRACTION	100
2.543-2.5983	0.2588	146	0.2158	8252	X-RAY DIFFRACTION	100
2.5983-2.6588	0.2373	149	0.2133	8158	X-RAY DIFFRACTION	100
2.6588-2.7252	0.2449	146	0.206	8310	X-RAY DIFFRACTION	100
2.7252-2.7989	0.2778	148	0.211	8204	X-RAY DIFFRACTION	100
2.7989-2.8813	0.2903	145	0.2064	8194	X-RAY DIFFRACTION	100
2.8813-2.9742	0.2349	146	0.2127	8281	X-RAY DIFFRACTION	100
2.9742-3.0805	0.2747	146	0.216	8254	X-RAY DIFFRACTION	100
3.0805-3.2038	0.2503	145	0.2078	8216	X-RAY DIFFRACTION	100
3.2038-3.3496	0.2598	142	0.187	8185	X-RAY DIFFRACTION	100
3.3496-3.5262	0.1844	148	0.1822	8260	X-RAY DIFFRACTION	100
3.5262-3.747	0.1959	149	0.1687	8257	X-RAY DIFFRACTION	100
3.747-4.0362	0.2005	147	0.1561	8161	X-RAY DIFFRACTION	100
4.0362-4.4421	0.1562	148	0.1476	8258	X-RAY DIFFRACTION	100
4.4421-5.0843	0.1765	151	0.1441	8228	X-RAY DIFFRACTION	100
5.0843-6.4032	0.1993	150	0.1677	8250	X-RAY DIFFRACTION	100
6.4032-47.9185	0.185	148	0.1697	8222	X-RAY DIFFRACTION	100

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	2.1075	-1.76	-1.1321	2.5496	1.1233	2.5987	-0.0727	0.2234	-0.1781	0.2383	-0.1147	0.2619	0.2054	-0.2654	0.1415	0.4708	-0.0325	0.0244	0.4602	-0.0641	0.437	-12.1723	6.4492	73.2178
2	0.6648	-0.1162	0.0747	0.5381	0.0855	0.7873	-0.0045	-0.0058	0.0665	0.1152	0.1013	-0.0644	0.2602	0.2063	-0.0421	0.2592	-0.0082	-0.0243	0.2894	-0.0208	0.2802	6.818	3.4774	34.3972
3	0.5897	0.42	0.7439	1.1365	1.0457	1.2823	0.4712	0.8095	-0.2025	-1.151	-0.1921	0.5864	0.7486	-0.2161	-0.2307	1.2231	0.3178	-0.1787	1.2289	-0.2056	0.6931	22.4154	-17.3978	1.4951
4	0.5161	0.3677	0.179	0.3324	-0.0467	0.8639	0.0034	0.1125	0.1028	-0.0341	0.061	0.0499	0.0352	0.0838	-0.0763	0.2924	-0.0245	-0.0271	0.2963	-0.002	0.298	-1.2451	8.6313	29.2243
5	0.0249	-0.0408	-0.0367	0.0521	0.0558	0.0596	0.0673	0.4265	1.4471	-0.3087	-0.0949	-0.2554	-1.9272	0.8512	-0.0327	1.0392	-0.1883	0.0708	0.6586	0.2579	1.1737	-39.2066	17.2352	29.1605
6	3.1471	2.1532	0.4969	4.6935	0.8739	1.452	0.1974	-0.0845	0.7391	-0.361	0.3827	-0.3473	-1.0808	0.4463	-0.3651	0.7148	-0.2257	0.1925	0.9535	-0.0823	0.9359	-40.0731	14.5739	37.2873
7	0.8601	0.228	-0.027	0.2495	-0.046	0.5906	0.0766	0.0803	-0.027	0.0661	-0.0438	-0.0314	-0.0195	0.1875	-0.0178	0.2751	-0.0435	-0.0246	0.2836	-0.0087	0.2789	5.4824	6.5017	37.0989
8	2.0652	0.029	-0.9068	1.6525	-0.4286	2.325	0.404	0.5271	-0.2831	-0.1614	-0.648	0.7321	-0.9183	-1.3795	0.2427	0.7352	0.266	0.0237	0.7893	-0.1553	0.6212	23.5526	-3.4034	67.1486
9	0.9978	-0.3688	-0.2778	0.2261	0.3103	1.3622	-0.0277	-0.1139	-0.0942	0.1682	0.0696	-0.0037	0.1414	0.416	-0.0441	0.2551	0.0002	-0.0379	0.3361	0.0186	0.3046	16.77	5.3279	41.0421
10	0.761	0.1589	0.1595	0.9271	-0.4783	2.0236	-0.0637	-0.1286	-0.0322	0.243	0.0833	-0.0652	-0.2569	-0.0362	-0.0238	0.39	0.0554	-0.0165	0.2346	-0.018	0.3096	-3.4859	19.223	80.7224
11	0.9769	-0.4417	0.2524	0.5415	-0.0678	0.648	-0.036	-0.148	-0.0716	0.1479	0.0737	-0.0697	0.1907	0.0161	-0.0361	0.43	-0.0429	0.0059	0.3154	-0.0116	0.3788	-17.8292	-10.8013	64.0513
12	1.4018	0.4469	-0.6947	0.6117	-0.1846	1.4749	-0.116	0.0968	-0.2203	0.0318	0.0452	0.0293	0.4544	-0.1525	0.0144	0.3981	-0.1033	0.0045	0.2459	-0.049	0.3521	-28.4193	-13.8912	36.3491
13	3.7013	0.6931	2.721	5.3855	0.4153	4.6796	-0.0757	0.7194	-0.8187	-0.2515	-0.2553	-0.1952	1.0343	-1.5482	0.1473	0.6999	-0.1985	0.0813	0.9869	-0.1947	0.5434	-12.1729	-18.7028	22.7849
14	0.0147	0.0676	-0.0158	0.4247	-0.1241	0.0383	-0.0788	-0.1456	-0.0195	0.125	0.0389	0.12	0.0452	-0.0651	0.001	1.3683	-0.1529	0.2794	0.9101	-0.0829	1.056	-6.4755	-6.9672	34.4763
15	3.5671	-0.9132	-1.1466	3.951	0.2256	1.691	-0.1204	0.4581	-0.9737	-0.1563	0.1619	-0.1584	0.6727	0.177	-0.2591	0.5168	-0.0979	0.0011	0.3915	-0.1813	0.5751	-12.1018	-14.7117	24.019
16	1.3299	0.2926	-1.082	0.8423	-0.6198	0.9856	-0.0217	-0.4984	0.1185	0.0448	0.0507	0.1684	0.1749	0.274	-0.0466	0.4277	-0.0424	-0.0061	0.3998	-0.0182	0.3421	-3.6598	7.6903	57.6681
17	1.3033	-0.0151	-0.0995	1.3166	0.7876	2.9819	-0.0629	0.1851	0.0699	0.068	-0.0343	0.4307	0.467	-0.7168	-0.0161	0.4946	-0.0855	0.0266	0.5092	0.0583	0.4322	-15.1854	3.879	80.0395

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	CHAIN A AND (RESID 0 THROUGH 9 )
2	X-RAY DIFFRACTION	2	CHAIN A AND (RESID 10 THROUGH 29 )
3	X-RAY DIFFRACTION	3	CHAIN A AND (RESID 30 THROUGH 39 )
4	X-RAY DIFFRACTION	4	CHAIN A AND (RESID 40 THROUGH 69 )
5	X-RAY DIFFRACTION	5	CHAIN A AND (RESID 70 THROUGH 74 )
6	X-RAY DIFFRACTION	6	CHAIN A AND (RESID 75 THROUGH 82 )
7	X-RAY DIFFRACTION	7	CHAIN B AND (RESID 4 THROUGH 207 )
8	X-RAY DIFFRACTION	8	CHAIN B AND (RESID 208 THROUGH 286 )
9	X-RAY DIFFRACTION	9	CHAIN B AND (RESID 287 THROUGH 512 )
10	X-RAY DIFFRACTION	10	CHAIN B AND (RESID 513 THROUGH 730 )
11	X-RAY DIFFRACTION	11	CHAIN B AND (RESID 731 THROUGH 1030 )
12	X-RAY DIFFRACTION	12	CHAIN B AND (RESID 1031 THROUGH 1365 )
13	X-RAY DIFFRACTION	13	CHAIN C AND (RESID 1 THROUGH 8 )
14	X-RAY DIFFRACTION	14	CHAIN C AND (RESID 9 THROUGH 9 )
15	X-RAY DIFFRACTION	15	CHAIN D AND (RESID 3 THROUGH 12 )
16	X-RAY DIFFRACTION	16	CHAIN E AND (RESID 12 THROUGH 21 )
17	X-RAY DIFFRACTION	17	CHAIN E AND (RESID 22 THROUGH 28 )

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