PDB-5b2o: Crystal structure of Francisella novicida Cas9 in complex with sg...

ID or keywords:

Entry

Database: PDB / ID: 5b2o

Title

Crystal structure of Francisella novicida Cas9 in complex with sgRNA and target DNA (TGG PAM)

Components

CRISPR-associated endonuclease Cas9
DNA (5'-D(*TP*GP*GP*TP*AP*TP*CP*GP*G)-3')
Guide RNA
Target DNA

Keywords

HYDROLASE/RNA/DNA /

CRISPR-Cas9 /

genome engineering / HYDROLASE-RNA-DNA complex

Function / homology

Function and homology information

endonuclease activity / defense response to virus /

Hydrolases; Acting on ester bonds /

DNA binding /

RNA binding /

metal ion binding
Similarity search - Function

Biological species

Francisella tularensis subsp. novicida U112 (bacteria)
synthetic construct (others)

Francisella tularensis subsp. novicida (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 1.7 Å

Authors

Hirano, H. / Nishimasu, H. / Nakane, T. / Ishitani, R. / Nureki, O.

Citation

Journal: Cell / Year: 2016
Title: Structure and Engineering of Francisella novicida Cas9
Authors: Hirano, H. / Gootenberg, J.S. / Horii, T. / Abudayyeh, O.O. / Kimura, M. / Hsu, P.D. / Nakane, T. / Ishitani, R. / Hatada, I. / Zhang, F. / Nishimasu, H. / Nureki, O.

History

Deposition	Feb 1, 2016	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Mar 2, 2016	Provider: repository / Type: Initial release
Revision 1.1	Mar 9, 2016	Group: Database references
Revision 1.2	Oct 4, 2017	Group: Advisory / Data collection / Derived calculations Category: diffrn_detector / diffrn_source ...diffrn_detector / diffrn_source / pdbx_struct_oper_list / pdbx_unobs_or_zero_occ_atoms Item: _diffrn_detector.detector / _diffrn_source.pdbx_synchrotron_site / _pdbx_struct_oper_list.symmetry_operation
Revision 1.3	Mar 20, 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_conn_type 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.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.value / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.pdbx_ptnr1_label_alt_id / _struct_conn.pdbx_value_order / _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.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_type.id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5b2o.cif.gz	798.2 KB	Display	PDBx/mmCIF format
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Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/b2/5b2o ftp://data.pdbj.org/pub/pdb/validation_reports/b2/5b2o	HTTPS FTP

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Related structure data

Related structure data	5b2pC 5b2qC C: citing same article (ref.)
Similar structure data	5b2q-d 5b2p-d 6v4x-d 6ijz-d 5v36-2 4yuu-3 1grz-d 21050 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 (4) #253 - Jan 2021 Expressome similarity (2) #121 - Jan 2010 70S Ribosomes similarity (1) #16 - Apr 2001 Aminoacyl-tRNA Synthetases similarity (1) #130 - Oct 2010 Riboswitches similarity (1) #157 - Jan 2013 Transfer-Messenger RNA similarity (1) #67 - Jul 2005 TATA-Binding Protein similarity (1) #229 - Jan 2019 Fluorescent RNA Aptamers similarity (1) #168 - Dec 2013 DNA Helicase similarity (1) #87 - Mar 2007 Zinc Fingers similarity (2) #91 - Jul 2007 Thymine Dimers similarity (1) #260 - Aug 2021 Ribonuclease P similarity (1) #255 - Mar 2021 Cisplatin and DNA similarity (1) #249 - Sep 2020 SARS-CoV-2 RNA-dependent RNA Polymerase similarity (1) #146 - Feb 2012 Aminoglycoside Antibiotics similarity (1) #172 - Apr 2014 RecA and Rad51 similarity (1) #227 - Nov 2018 Telomerase similarity (2) #122 - Feb 2010 Enhanceosome similarity (1) #15 - Mar 2001 Transfer RNA similarity (1) #84 - Dec 2006 Transposase similarity (1) #48 - Dec 2003 Catabolite Activator Protein similarity (1) #10 - Oct 2000 Ribosome similarity (1) #210 - Jun 2017 Adenine Riboswitch in Action similarity (1) #150 - Jun 2012 Sliding Clamps similarity (1) #135 - Mar 2011 Integrase similarity (1) #112 - Apr 2009 Oct and Sox Transcription Factors similarity (1) #180 - Dec 2014 TAL Effectors similarity (1) #65 - May 2005 Self-splicing RNA 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) #98 - Feb 2008 Small Interfering RNA similarity (1) #73 - Jan 2006 Topoisomerase similarity (1) #40 - Apr 2003 RNA Polymerase similarity (1) #139 - Jul 2011 DNA Methyltransferase similarity (1) #155 - Nov 2012 Vitamin D Receptor similarity (1) #3 - Mar 2000 DNA Polymerase similarity (1) #161 - May 2013 Ricin similarity (1) #89 - May 2007 Aconitase and Iron Regulatory Protein 1 similarity (1) #81 - Sep 2006 Elongation Factors similarity (1) #119 - Nov 2009 Designed DNA Crystal similarity (1) #266 - Feb 2022 Oligosaccharyltransferase similarity (1) #125 - May 2010 Parvoviruses similarity (1) #131 - Nov 2010 Inteins similarity (1) #230 - Feb 2019 Initiation Factor eIF4E similarity (1) #160 - Apr 2013 Actinomycin similarity (1) #190 - Oct 2015 Two-component Systems similarity (1) #23 - Nov 2001 DNA similarity (1) #7 - Jul 2000 Nucleosome similarity (1) #240 - Dec 2019 Hypoxia-Inducible Factors similarity (1) #8 - Aug 2000 Restriction Enzymes similarity (1) #257 - May 2021 Fetal Hemoglobin similarity (1) #258 - Jun 2021 Glucocorticoid Receptor and Dexamethasone similarity (1) #143 - Nov 2011 Toll-like Receptors similarity (1) #31 - Jul 2002 p53 Tumor Suppressor similarity (1) #106 - Oct 2008 Poly(A) Polymerase similarity (1) #33 - Sep 2002 HIV Reverse Transcriptase similarity (1) #104 - Aug 2008 Selenocysteine Synthase similarity (1) #39 - Mar 2003 lac Repressor similarity (1) #92 - Aug 2007 Anabolic Steroids similarity (1) #45 - Sep 2003 Estrogen Receptor similarity (1) #55 - Jul 2004 DNA Ligase similarity (1) #241 - Jan 2020 Twenty Years of Molecules similarity (2)

PDB pages

PDBj /

wwPDB /

NCBI

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Deposited unit

A: CRISPR-associated endonuclease Cas9

B: Guide RNA

C: Target DNA

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

hetero molecules

236 kDa, 4 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)	81.922, 159.105, 96.808
Angle α, β, γ (deg.)	90.000, 107.040, 90.000
Int Tables number	4
Space group name H-M	P12₁1

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DNA chain , 2 types, 2 molecules CD

#3: DNA chain	Target DNA Mass: 8993.800 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: chemical synthesis Source: (synth.) Francisella tularensis subsp. novicida (bacteria)
#4: DNA chain	DNA (5'-D(TPGPGPTPAPTPCPGPG)-3') Mass: 2786.833 Da / Num. of mol.: 1 / Source method: obtained synthetically Source: (synth.) Francisella tularensis subsp. novicida* (bacteria)

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Protein / RNA chain , 2 types, 2 molecules AB

#1: Protein	CRISPR-associated endonuclease Cas9 Mass: 190995.422 Da / Num. of mol.: 1 / Mutation: N995A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Francisella tularensis subsp. novicida U112 (bacteria) Strain: U112 / Gene: cas9, FTN_0757 / Plasmid: pE-SUMO / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) Rosetta2 References: UniProt: A0Q5Y3, Hydrolases; Acting on ester bonds
#2: RNA chain	Guide RNA / Mass: 30278.863 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: in vitro transcription / Source: (synth.) synthetic construct (others)

#1: Protein

CRISPR-associated endonuclease Cas9

Mass: 190995.422 Da / Num. of mol.: 1 / Mutation: N995A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Francisella tularensis subsp. novicida U112 (bacteria)
Strain: U112 / Gene: cas9, FTN_0757 / Plasmid: pE-SUMO / Production host:

Escherichia coli (E. coli) / Strain (production host): BL21(DE3) Rosetta2
References: UniProt: A0Q5Y3,

Hydrolases; Acting on ester bonds

#2: RNA chain

Guide RNA /

Mass: 30278.863 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: in vitro transcription / Source: (synth.) synthetic construct (others)

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Non-polymers , 7 types, 1080 molecules

#5: Chemical	ChemComp-ZN / ZINC ION Mass: 65.409 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Zn
#6: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Na
#7: Chemical	ChemComp-CL / CHLORIDE ION / Chloride Mass: 35.453 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Cl
#8: Chemical	ChemComp-CA / CALCIUM ION Mass: 40.078 Da / Num. of mol.: 17 / Source method: obtained synthetically / Formula: Ca
#9: Chemical	... ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / Ethylene glycol Mass: 62.068 Da / Num. of mol.: 23 / Source method: obtained synthetically / Formula: C₂H₆O₂
#10: Chemical	ChemComp-ACT / ACETATE ION / Acetate Mass: 59.044 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₂H₃O₂
#11: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 1031 / 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: 2.59 Å³/Da / Density % sol: 52.47 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 5 Details: 9-11% PEG 3350, 0.2 M calcium acetate, 0.1 M sodium acetate

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SPring-8 / Beamline: BL41XU / Wavelength: 1 Å
Detector	Type: PSI PILATUS 6M / Detector: PIXEL / Date: Apr 12, 2015
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 1.7→46.28 Å / Num. obs: 249301 / % possible obs: 96.3 % / Redundancy: 7.2 % / Net I/σ(I): 14.2

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Processing

Software

Name	Version	Classification
Aimless		data scaling
PHENIX	1.10_2155: ???	refinement
PDB_EXTRACT	3.2	data extraction

Refinement

Method to determine structure:

SAD / Resolution: 1.7→46.278 Å / SU ML: 0.21 / Cross valid method: FREE R-VALUE / σ(F): 1.37 / Phase error: 21.53

	R_factor	Num. reflection	% reflection
R_free	0.2073	12436	4.99 %
R_work	0.1844	-	-
obs	0.1856	249252	96.15 %

Solvent computation

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

Displacement parameters

B_iso max: 153.69 Å² / B_iso mean: 47.6372 Å² / B_iso min: 15.79 Å²

Refinement step

Cycle: final / Resolution: 1.7→46.278 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	11677	2771	124	1031	15603
B_iso mean	-	-	46.7	40.63	-
Num. residues	-	-	-	-	1588

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.01	15203
X-RAY DIFFRACTION	f_angle_d	1.144	21120
X-RAY DIFFRACTION	f_chiral_restr	0.063	2413
X-RAY DIFFRACTION	f_plane_restr	0.007	2237
X-RAY DIFFRACTION	f_dihedral_angle_d	17.009	8849

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 30

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
1.7-1.7193	0.3462	427	0.3311	7874	8301	96
1.7193-1.7396	0.3225	420	0.313	7886	8306	96
1.7396-1.7608	0.3284	403	0.3013	7857	8260	96
1.7608-1.7831	0.3109	398	0.2928	7844	8242	96
1.7831-1.8065	0.2921	409	0.28	7786	8195	95
1.8065-1.8313	0.2965	383	0.2694	7356	7739	90
1.8313-1.8574	0.262	404	0.2503	7737	8141	95
1.8574-1.8852	0.2784	418	0.2413	7934	8352	97
1.8852-1.9146	0.2488	411	0.2288	7939	8350	97
1.9146-1.946	0.2418	426	0.2157	7940	8366	97
1.946-1.9796	0.231	419	0.2094	7925	8344	97
1.9796-2.0156	0.2311	418	0.199	7968	8386	97
2.0156-2.0543	0.228	419	0.2029	7973	8392	97
2.0543-2.0963	0.2177	427	0.1946	7913	8340	97
2.0963-2.1418	0.2208	421	0.1921	7863	8284	97
2.1418-2.1917	0.2174	399	0.1836	7527	7926	92
2.1917-2.2465	0.2054	396	0.1804	7729	8125	94
2.2465-2.3072	0.1979	420	0.1732	8046	8466	98
2.3072-2.3751	0.2021	426	0.1751	7992	8418	98
2.3751-2.4517	0.2	419	0.1744	8063	8482	98
2.4517-2.5394	0.2037	423	0.1748	8034	8457	98
2.5394-2.641	0.2267	425	0.1808	8029	8454	98
2.641-2.7612	0.2303	409	0.1892	7917	8326	97
2.7612-2.9068	0.2105	395	0.1818	7498	7893	91
2.9068-3.0889	0.1939	422	0.1754	8127	8549	99
3.0889-3.3273	0.1852	425	0.1725	8126	8551	99
3.3273-3.662	0.1966	418	0.169	8078	8496	98
3.662-4.1916	0.2045	402	0.1603	7664	8066	93
4.1916-5.2798	0.1655	434	0.1526	8173	8607	99
5.2798-46.2952	0.1837	420	0.1849	8018	8438	96

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	1.2876	-0.223	1.1544	0.5778	-0.0364	3.9167	-0.0138	-0.2495	0.1702	0.1378	0.0895	-0.05	-0.0954	-0.0563	0.0212	0.1526	-0.0206	0.0176	0.1577	-0.0681	0.1848	3.9404	2.3898	25.3208
2	1.7464	2.2547	-0.7715	1.98	-1.0124	-0.2008	-0.1175	0.2548	-1.101	-0.2338	0.0401	-0.0155	0.4081	-0.0871	0.0599	0.6375	-0.0916	0.0218	0.3849	-0.1192	1.1368	-16.208	-33.7499	0.333
3	1.5606	-0.4017	1.4219	0.4212	-0.1927	1.9866	0.0759	0.3605	0.0614	0.0361	-0.0544	-0.087	0.2025	0.5586	-0.0231	0.1978	0.0064	0.0438	0.2982	-0.0178	0.2017	27.0794	-8.4153	22.802
4	0.9207	0.2683	0.288	3.3929	1.1542	0.5522	-0.0908	-0.0419	-0.3384	0.6302	0.2157	0.2606	0.5273	0.1063	-0.1025	0.571	0.0196	0.0621	0.3169	-0.0031	0.3852	23.0859	-31.4808	28.1705
5	1.4099	-0.6771	-0.1802	1.7512	0.7459	1.2595	-0.0886	-0.219	-0.2086	0.2577	0.1359	0.1044	0.3825	0.0101	-0.0475	0.4395	0.0109	0.0011	0.3345	0.0232	0.2144	18.2519	-20.0024	38.5917
6	2.3775	-1.624	0.3285	2.311	-1.6044	2.9485	0.156	0.1039	-0.2985	-0.4731	-0.1971	0.0165	0.8633	0.4987	0.0165	1.1927	-0.1339	-0.0582	0.9228	0.2445	0.8071	7.9294	-30.8356	65.2117
7	2.7868	-0.0554	-0.1994	3.2639	-0.2619	2.6224	-0.1168	-0.926	-0.4082	0.4424	0.0583	-0.0128	0.4551	-0.4385	0.0347	0.3952	-0.0563	-0.016	0.6271	0.0276	0.2113	9.5147	-8.9949	56.0143
8	1.3432	-0.4686	0.7309	0.6988	-0.2667	1.1555	-0.1137	-0.2202	0.1447	0.0426	0.0443	0.1128	-0.2222	-0.2284	0.0527	0.23	-0.0061	0.0517	0.1821	-0.0332	0.2652	-22.6387	13.7215	12.8068
9	1.1192	0.1618	-0.0587	2.4229	0.5048	2.2155	-0.004	-0.333	0.2879	0.7065	-0.0084	0.2499	-0.2878	-0.0265	-0.0089	0.3988	0.0335	0.0554	0.2224	-0.0713	0.3248	-16.3945	15.91	30.156
10	2.366	-0.4314	0.6928	1.2355	0.1762	1.3058	0.2182	-0.4986	-0.0811	0.1628	-0.0749	0.2452	0.3899	-0.0759	-0.332	0.6856	0.026	0.0404	0.4321	0.0229	0.4524	16.7346	-24.4553	37.2973
11	1.5044	-0.7549	1.1501	0.3008	-0.3603	1.5223	0.1126	0.0508	-0.1721	-0.0526	-0.0019	0.1497	0.1153	0.0531	-0.124	0.2054	-0.0363	0.0088	0.1555	-0.0002	0.245	-6.7681	-3.461	7.8521
12	5.2345	-1.3053	-0.3175	5.2354	-0.6025	3.2915	0.2202	0.8086	0.0321	-0.8358	-0.115	0.4685	-0.3415	-0.1215	-0.1662	0.4061	0.0508	-0.1457	0.4198	-0.0764	0.3458	-34.0626	8.3116	-15.9376
13	0.6758	-0.5745	0.0518	0.5094	0.0729	0.7629	0.0451	0.0948	0.0076	-0.065	-0.041	0.0713	-0.0446	0.0186	0.0039	0.2137	-0.0275	-0.0061	0.1536	0.0166	0.2565	-15.5844	6.3	0.0359
14	1.2459	-0.2149	-1.348	0.1174	0.5389	2.6945	0.0938	0.0608	0.7175	0.0634	-0.2968	-0.0689	-0.7061	0.3005	0.1672	0.384	-0.1361	-0.0014	0.3399	0.0506	0.435	7.9413	13.4663	8.7559
15	1.3887	-0.2877	0.3502	0.5193	-0.6375	1.6343	-0.13	-0.0308	0.1544	-0.0265	0.0216	-0.042	-0.186	0.0637	0.1182	0.2197	-0.0299	0.0004	0.2026	-0.0317	0.2689	2.5821	7.0098	22.4446
16	3.0659	3.287	-0.0294	6.2188	-3.9522	5.7085	-0.0618	-0.3059	0.4362	0.6742	-0.1274	-0.0123	-0.9194	-0.5739	0.1367	0.2671	0.0521	-0.0374	0.2979	-0.0621	0.2398	9.6821	7.9643	30.3915
17	3.2125	-0.9803	0.3966	0.2975	-0.0885	0.3505	0.0438	0.5613	0.61	-0.016	-0.167	-0.1918	-0.0746	0.3688	0.1201	0.1995	-0.043	0.0228	0.4171	0.05	0.3191	25.5945	0.3516	15.9707
18	4.5699	4.3232	-4.7759	4.1073	-4.5308	5.001	-0.173	0.8146	-0.774	-1.0389	-0.1635	-0.7206	1.3411	0.6046	0.292	0.4356	0.132	0.0825	0.6207	-0.1046	0.3656	27.3972	-14.5932	9.2623
19	3.0978	0.1326	-0.3242	2.8655	-1.4461	2.4129	-0.021	0.3289	0.6408	0.1055	-0.0717	-0.3994	-0.2176	0.311	0.0638	0.1638	-0.0449	-0.0047	0.375	0.0264	0.3672	25.3272	-0.4271	16.3247
20	3.7249	-1.7883	-2.6915	3.0009	0.4946	4.3887	-0.5622	0.3979	0.4967	0.4317	0.0697	1.0567	-0.3487	-1.182	0.3429	0.3456	0.1705	-0.0229	0.479	-0.08	0.7974	-27.5866	12.9022	27.8284
21	0.3335	-0.1747	0.2777	0.707	0.0629	1.1382	-0.0964	-0.4425	-0.4603	0.5021	0.1757	0.2642	0.2801	0.0984	-0.1767	0.5206	0.0989	0.0877	0.3878	0.1216	0.338	10.0916	-20.5394	29.4408
22	7.3021	-2.6854	-1.0558	1.1166	-0.0716	2.0858	-0.2517	0.1606	0.908	0.2662	0.103	1.3711	-0.7551	-1.0842	-0.0313	0.3747	0.2054	-0.0046	0.6165	-0.0646	0.9745	-28.666	15.9568	26.8336

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 1 through 99 )	A	1 - 99
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 100 through 324 )	A	100 - 324
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 325 through 643 )	A	325 - 643
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 644 through 750 )	A	644 - 750
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 751 through 927 )	A	751 - 927
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 928 through 1065 )	A	928 - 1065
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 1066 through 1176 )	A	0
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 1177 through 1424 )	A	0
9	X-RAY DIFFRACTION	9	chain 'A' and (resid 1425 through 1622 )	A	0
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 1 through 10 )	B	1 - 10
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 11 through 30 )	B	11 - 30
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 31 through 40 )	B	31 - 40
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 41 through 55 )	B	41 - 55
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 56 through 60 )	B	56 - 60
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 61 through 65 )	B	61 - 65
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 66 through 70 )	B	66 - 70
17	X-RAY DIFFRACTION	17	chain 'B' and (resid 71 through 80 )	B	71 - 80
18	X-RAY DIFFRACTION	18	chain 'B' and (resid 81 through 85 )	B	81 - 85
19	X-RAY DIFFRACTION	19	chain 'B' and (resid 86 through 94 )	B	86 - 94
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 1 through 10 )	C	1 - 10
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 11 through 30 )	C	11 - 30
22	X-RAY DIFFRACTION	22	chain 'D' and (resid 1 through 9 )	D	1 - 9

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