PDB-5ng6: Crystal structure of FnCas12a bound to a crRNA

ID or keywords:

Entry

Database: PDB / ID: 5ng6

Title

Crystal structure of FnCas12a bound to a crRNA

Components

CRISPR-associated endonuclease Cpf1
crRNA

Keywords

HYDROLASE / CRISPR / Cas / Cpf1 / Cas12a / nuclease / genome editing / R-loop / crRNA / RuvC

Function / homology

Function and homology information

Bacillus subtilis ribonuclease / deoxyribonuclease I / deoxyribonuclease I activity / defense response to virus / lyase activity / DNA binding / RNA binding
Similarity search - Function

Biological species

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

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3.342 Å

Authors

Swarts, D.C. / van der Oost, J. / Jinek, M.

Citation

Journal: Mol. Cell / Year: 2017
Title: Structural Basis for Guide RNA Processing and Seed-Dependent DNA Targeting by CRISPR-Cas12a.
Authors: Swarts, D.C. / van der Oost, J. / Jinek, M.

History

Deposition	Mar 16, 2017	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Jun 14, 2017	Provider: repository / Type: Initial release
Revision 1.1	Jan 17, 2024	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.process_site / _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_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_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.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.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
Revision 1.2	Nov 20, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5ng6.cif.gz	2.1 MB	Display	PDBx/mmCIF format
PDB format	pdb5ng6.ent.gz	1.8 MB	Display	PDB format
PDBx/mmJSON format	5ng6.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	5ng6_validation.pdf.gz	541.2 KB	Display	wwPDB validaton report
Full document	5ng6_full_validation.pdf.gz	645.5 KB	Display
Data in XML	5ng6_validation.xml.gz	171.2 KB	Display
Data in CIF	5ng6_validation.cif.gz	233.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ng/5ng6 ftp://data.pdbj.org/pub/pdb/validation_reports/ng/5ng6	HTTPS FTP

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Related structure data

Related structure data	5nfvC 5id6S S: Starting model for refinement C: citing same article (ref.)
Similar structure data	6iv6-d 5id6-d 0449 6nme-d 5dx6-1 5erx-1 5d6r-1 6nmd-d 1ozh-d 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) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search
Experimental dataset #1	Data reference: 10.17632/fwbdxjzvcs.1 / Data set type: diffraction image data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#121 - Jan 2010 70S Ribosomes similarity (1) #130 - Oct 2010 Riboswitches similarity (1) #16 - Apr 2001 Aminoacyl-tRNA Synthetases similarity (1) #181 - Jan 2015 Cascade and CRISPR similarity (3) #157 - Jan 2013 Transfer-Messenger RNA similarity (1) #229 - Jan 2019 Fluorescent RNA Aptamers similarity (1) #253 - Jan 2021 Expressome similarity (1) #260 - Aug 2021 Ribonuclease P similarity (1) #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) #10 - Oct 2000 Ribosome similarity (1) #210 - Jun 2017 Adenine Riboswitch in Action similarity (1) #87 - Mar 2007 Zinc Fingers 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) #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) #227 - Nov 2018 Telomerase 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) #18 - Jun 2001 Myosin similarity (1) #19 - Jul 2001 Actin similarity (1) #241 - Jan 2020 Twenty Years of Molecules similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

#121 - Jan 2010
70S Ribosomes
similarity (1)
#130 - Oct 2010
Riboswitches
similarity (1)
#16 - Apr 2001
Aminoacyl-tRNA Synthetases
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#181 - Jan 2015
Cascade and CRISPR
similarity (3)
#157 - Jan 2013
Transfer-Messenger RNA
similarity (1)
#229 - Jan 2019
Fluorescent RNA Aptamers
similarity (1)
#253 - Jan 2021
Expressome
similarity (1)
#260 - Aug 2021
Ribonuclease P
similarity (1)
#146 - Feb 2012
Aminoglycoside Antibiotics
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#15 - Mar 2001
Transfer RNA
similarity (1)
#249 - Sep 2020
SARS-CoV-2 RNA-dependent RNA Polymerase
similarity (1)
#10 - Oct 2000
Ribosome
similarity (1)
#210 - Jun 2017
Adenine Riboswitch in Action
similarity (1)
#87 - Mar 2007
Zinc Fingers
similarity (1)
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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)
#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)
#227 - Nov 2018
Telomerase
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
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#18 - Jun 2001
Myosin
similarity (1)
#19 - Jul 2001
Actin
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similarity (1)

Deposited unit

A: CRISPR-associated endonuclease Cpf1

B: crRNA

C: CRISPR-associated endonuclease Cpf1

D: crRNA

E: CRISPR-associated endonuclease Cpf1

F: crRNA

G: CRISPR-associated endonuclease Cpf1

H: crRNA

hetero molecules

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

1

A: CRISPR-associated endonuclease Cpf1

B: crRNA

hetero molecules

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

2

C: CRISPR-associated endonuclease Cpf1

D: crRNA

hetero molecules

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

3

E: CRISPR-associated endonuclease Cpf1

F: crRNA

hetero molecules

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

4

G: CRISPR-associated endonuclease Cpf1

H: crRNA

hetero molecules

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

Unit cell

Length a, b, c (Å)	214.684, 277.061, 135.636
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	18
Space group name H-M	P2₁2₁2

#1: Protein	CRISPR-associated endonuclease Cpf1 / FnCpf1 Mass: 152282.188 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Details: SNA sequence at the N-terminus is derived from expression vector. Source: (gene. exp.) Francisella tularensis subsp. novicida (strain U112) (bacteria) Strain: U112 / Gene: cpf1, FTN_1397 / Plasmid: pML-1B / Details (production host): His6-TEV N-terminal fusion / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): Rosetta 2 References: UniProt: A0Q7Q2, Hydrolases; Acting on ester bonds
#2: RNA chain	crRNA Mass: 13712.073 Da / Num. of mol.: 4 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#3: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Mg
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 45 / Source method: isolated from a natural source / Formula: H₂O
Has protein modification	Y

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 3.08 Å³/Da / Density % sol: 60.1 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 50 mM HEPES-NaOH, pH 6.5, 20% (w/v) Polyethylene glycol 3,400, 1.5% (w/v) Tryptone

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SLS / Beamline: X06DA / Wavelength: 1.00768 Å
Detector	Type: DECTRIS PILATUS 2M-F / Detector: PIXEL / Date: Aug 26, 2016
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.00768 Å / Relative weight: 1
Reflection	Resolution: 3.34→169.7 Å / Num. obs: 225590 / % possible obs: 99.7 % / Observed criterion σ(I): 1.73 / Redundancy: 7 % / CC_1/2: 0.997 / R_sym value: 0.195 / Net I/σ(I): 10.9
Reflection shell	Resolution: 3.34→3.54 Å / Redundancy: 7 % / Mean I/σ(I) obs: 1.73 / Num. unique obs: 33814 / CC_1/2: 0.595 / R_sym value: 1.1179 / % possible all: 98.1

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Processing

Software

Name	Version	Classification
PHENIX	(1.10_2155: ???)	refinement
XDS		data scaling
PHASER		phasing
Coot		model building

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 5ID6

5id6

Resolution: 3.342→49.239 Å / SU ML: 0.41 / Cross valid method: FREE R-VALUE / σ(F): 1.13 / Phase error: 26.17 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2584	10907	4.84 %
R_work	0.2386	-	-
obs	0.2397	225492	99.64 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 3.342→49.239 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	41732	2028	8	45	43813

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.012	44860
X-RAY DIFFRACTION	f_angle_d	0.687	60636
X-RAY DIFFRACTION	f_dihedral_angle_d	18.796	27058
X-RAY DIFFRACTION	f_chiral_restr	0.046	6572
X-RAY DIFFRACTION	f_plane_restr	0.004	7418

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 (%)
3.3419-3.3799	0.3923	332	0.3868	6544	X-RAY DIFFRACTION	91
3.3799-3.4197	0.3567	368	0.3488	7200	X-RAY DIFFRACTION	100
3.4197-3.4614	0.3452	366	0.3275	7166	X-RAY DIFFRACTION	100
3.4614-3.5052	0.365	361	0.3277	7124	X-RAY DIFFRACTION	100
3.5052-3.5513	0.3405	371	0.3058	7172	X-RAY DIFFRACTION	100
3.5513-3.5999	0.3164	356	0.3026	7179	X-RAY DIFFRACTION	100
3.5999-3.6513	0.3085	390	0.3001	7239	X-RAY DIFFRACTION	100
3.6513-3.7058	0.3063	349	0.2916	7068	X-RAY DIFFRACTION	100
3.7058-3.7637	0.3056	368	0.2863	7268	X-RAY DIFFRACTION	100
3.7637-3.8254	0.2905	403	0.2837	7057	X-RAY DIFFRACTION	100
3.8254-3.8913	0.3231	336	0.2793	7268	X-RAY DIFFRACTION	100
3.8913-3.962	0.2808	406	0.2703	7144	X-RAY DIFFRACTION	100
3.962-4.0382	0.2777	329	0.2674	7206	X-RAY DIFFRACTION	100
4.0382-4.1206	0.2418	357	0.2517	7171	X-RAY DIFFRACTION	100
4.1206-4.2102	0.2371	378	0.2337	7145	X-RAY DIFFRACTION	100
4.2102-4.308	0.2487	359	0.2333	7187	X-RAY DIFFRACTION	100
4.308-4.4157	0.2418	366	0.2222	7182	X-RAY DIFFRACTION	100
4.4157-4.535	0.2345	354	0.2206	7197	X-RAY DIFFRACTION	100
4.535-4.6684	0.2418	355	0.2247	7222	X-RAY DIFFRACTION	100
4.6684-4.8189	0.2391	366	0.2145	7172	X-RAY DIFFRACTION	100
4.8189-4.991	0.2407	383	0.2106	7144	X-RAY DIFFRACTION	100
4.991-5.1906	0.2392	348	0.2125	7148	X-RAY DIFFRACTION	100
5.1906-5.4266	0.2586	385	0.2245	7195	X-RAY DIFFRACTION	100
5.4266-5.7123	0.2345	321	0.2273	7195	X-RAY DIFFRACTION	100
5.7123-6.0696	0.2213	394	0.232	7170	X-RAY DIFFRACTION	100
6.0696-6.5372	0.2562	376	0.2275	7166	X-RAY DIFFRACTION	100
6.5372-7.1933	0.2379	359	0.2177	7171	X-RAY DIFFRACTION	100
7.1933-8.23	0.2287	335	0.1963	7203	X-RAY DIFFRACTION	100
8.23-10.353	0.1972	359	0.1645	7196	X-RAY DIFFRACTION	100
10.353-49.2439	0.2357	377	0.2129	7086	X-RAY DIFFRACTION	99

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	1.0104	-0.1781	-0.3423	1.1231	0.301	0.5125	-0.0568	0.0823	-0.2344	0.0783	0.0043	0.0023	0.145	0.0379	-0	0.693	-0.0545	-0.031	0.5984	-0.0181	0.6137	19.8592	-251.4258	40.9057
2	1.7648	0.4876	0.3016	0.6937	-0.3	1.6605	0.1194	0.4166	0.1497	-0.1524	-0.2029	-0.6092	-0.2143	0.2706	0	0.6643	-0.0055	0.0435	0.7319	0.067	0.6621	28.4795	-231.8122	22.3482
3	1.95	-0.7793	-2.2834	1.245	1.5297	3.1518	0.158	0.5841	0.1353	-0.323	-0.0416	-0.1778	-0.2584	-0.3016	-0.0024	0.704	0.0039	-0.0045	0.9492	0.0385	0.5949	29.0238	-240.0992	-1.0702
4	0.1975	-0.1645	-0.2999	0.1278	0.2584	0.7664	0.0139	0.0673	0.3961	-0.163	0.1934	0.0751	-0.467	0.2164	0.0001	0.6602	-0.0473	0.0544	0.5661	0.0013	0.7106	28.9902	-221.3554	38.0712
5	0.0235	0.0389	0.0197	0.1232	-0.0318	0.0854	0.1137	0.2226	-1.7446	0.1848	-0.0438	-0.2044	1.9039	0.2225	0.001	0.9633	-0.0451	0.0394	0.4537	0.0888	0.9993	19.2341	-242.7923	45.8889
6	0.1509	0.3199	-0.4432	2.7403	-0.449	1.0578	0.0783	-0.0458	0.1835	0.3447	0.0843	0.4898	-0.2242	-0.2062	0	0.8286	0.0611	0.1442	0.9129	0.0747	0.7988	-32.2505	-230.2395	-22.8756
7	0.4659	-0.0328	0.5077	0.5731	-0.2047	0.7628	0.1084	-0.3385	0.6221	0.301	0.2251	0.5909	-0.3609	-0.1842	0.0002	0.8447	0.0116	0.1465	0.6996	0.0047	0.9005	-26.3972	-200.6257	-34.4136
8	0.5942	0.2255	-0.2869	1.0291	-0.3502	0.843	-0.0164	-0.002	-0.0704	0.1589	0.1025	0.1139	0.0367	-0.1233	0.0001	0.7226	0.0134	-0.0013	0.7537	-0.0564	0.7274	-20.7271	-241.8384	-27.382
9	1.4949	-0.3386	0.4081	0.4801	0.5127	1.0043	-0.1428	0.3281	-0.1505	-0.2803	0.1184	-0.0492	-0.0434	0.3274	-0	0.7938	0.0715	0.0151	0.8636	-0.0033	0.7503	-5.7143	-256.468	-33.7271
10	2.8442	0.6192	-1.3412	1.1229	-0.3546	1.5268	-0.082	0.1024	-0.1078	-0.2762	-0.0037	-0.2634	0.1925	0.5783	-0.0019	0.7486	0.0762	-0.0835	1.1223	0.0281	0.7522	17.7175	-249.1092	-35.4124
11	0.0589	0.0043	-0.0223	0.0508	-0.0318	0.0258	-0.4769	0.4843	0.0526	-0.2797	-0.1408	0.1473	0.4321	0.0846	-0.0002	1.024	-0.1348	0.0866	0.8849	-0.0535	0.7222	-26.8016	-265.0651	-34.6808
12	0.2677	-0.0045	0.0894	0.1058	-0.1139	0.1327	-0.043	0.2196	-0.6047	0.2615	0.0295	0.3231	0.5756	-0.2903	0	0.9815	-0.0757	0.0882	0.7632	-0.0689	0.9185	-20.0599	-267.2001	-32.5712
13	0.0491	0.01	0.0061	0.0609	0.0094	0.0106	0.0122	-0.1784	0.9459	-0.3708	0.0798	-0.3412	-1.3706	0.3246	0	0.9271	0.0446	-0.0072	0.9044	0.1038	0.9977	-29.2484	-244.1233	-25.3963
14	0.1276	0.1033	-0.0546	0.6171	-0.0252	0.7273	0.0018	-0.0979	-0.2362	-0.0202	-0.0137	-0.0163	0.4115	0.1393	-0.002	0.9124	0.1183	-0.0023	0.8925	0.0256	0.9419	-22.8045	-181.4742	7.3664
15	2.4862	-0.0465	-0.0793	1.5275	-0.5364	0.4571	0.0812	0.1058	0.2461	0.058	-0.0118	-0.1424	-0.2619	0.1493	0.0001	0.6069	-0.0292	-0.0268	0.6849	-0.0234	0.5945	-5.8563	-155.417	6.8193
16	4.0763	-0.6269	1.0524	0.4782	-0.0089	1.6447	-0.1213	-0.2087	-0.4576	0.1496	0.0479	-0.1259	0.1289	0.4226	-0.0012	0.6839	0.0316	0.0535	0.7866	0.0366	0.7486	15.5428	-164.8437	13.4184
17	0.6317	0.0901	-0.1783	0.1239	-0.1697	0.2219	0.1285	-0.0032	0.2154	-0.0343	-0.0391	-0.074	-0.4612	-0.0957	-0.0001	0.644	-0.0091	-0.0159	0.6119	-0.0916	0.7293	-18.6611	-148.6007	12.8353
18	0.2444	-0.0225	-0.2925	0.0438	0.1949	1.0434	-0.6145	-0.5738	-1.5659	0.4978	0.2854	0.032	1.8221	0.1939	-0.001	0.8161	-0.1621	0.1357	0.9509	-0.0174	1.221	-26.5123	-171.5057	5.2112
19	1.2444	0.0467	0.2396	1.1524	0.1506	0.4986	-0.0933	-0.3041	0.5118	-0.1221	0.087	-0.1099	-0.2436	0.0787	0.0004	0.8229	0.0084	0.1076	0.7192	-0.1393	0.8272	22.2229	-161.3448	-63.2562
20	0.3804	-0.4183	0.6467	1.6679	0.2039	2.4076	-0.0634	-0.4854	-0.1529	0.2297	0.0499	-0.2271	0.1597	0.2705	-0	0.7103	-0.0469	-0.0061	0.8325	0.0005	0.6735	27.7753	-185.9431	-46.6174
21	0.7491	0.5028	1.3809	1.2178	1.4352	3.2451	0.023	-0.6039	-0.0436	0.3303	0.1746	-0.3128	0.0424	0.1481	0	0.8833	0.0236	0.0028	1.2734	-0.107	0.8421	31.2835	-174.5943	-22.7747
22	0.0213	0.0333	0.038	0.0483	0.0587	0.0674	0.3832	-0.2787	-0.1086	0.3204	0.1756	-0.0019	-0.4772	0.4879	-0.0004	0.5429	-0.0367	0.0006	0.8337	-0.0489	0.776	34.6288	-190.7049	-64.3523
23	0.0049	-0.0092	0.0103	0.0131	0.0009	0.039	-0.0596	-0.3221	-0.1523	-0.5021	0.7865	-0.1862	0.3475	-0.0167	0.0009	0.7391	0.0731	0.0357	0.7081	-0.0835	0.9188	37.8701	-189.8729	-56.4708
24	0.0036	0.0175	0.026	0.0542	0.018	0.2724	0.1655	-0.2899	-0.0637	-0.3335	0.1056	-0.6141	0.112	0.2642	0	0.7521	0.0284	0.0491	0.6942	-0.0826	0.7681	30.3844	-194.5718	-58.0938
25	0.0124	0.0057	0.0149	0.0388	-0.0306	0.0506	0.439	0.0137	1.5247	-0.0926	0.347	-0.0908	-1.0191	-0.0964	0.0027	1.1222	-0.1392	0.0253	0.5688	0.0859	1.0718	22.5913	-171.5168	-67.1301

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 0 through 934 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 935 through 1036 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 1037 through 1299 )
4	X-RAY DIFFRACTION	4	chain 'B' and (resid -18 through 1 )
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 2 through 6 )
6	X-RAY DIFFRACTION	6	chain 'C' and (resid 0 through 206 )
7	X-RAY DIFFRACTION	7	chain 'C' and (resid 207 through 286 )
8	X-RAY DIFFRACTION	8	chain 'C' and (resid 287 through 934 )
9	X-RAY DIFFRACTION	9	chain 'C' and (resid 935 through 1036 )
10	X-RAY DIFFRACTION	10	chain 'C' and (resid 1037 through 1299 )
11	X-RAY DIFFRACTION	11	chain 'D' and (resid -18 through -14 )
12	X-RAY DIFFRACTION	12	chain 'D' and (resid -13 through 1 )
13	X-RAY DIFFRACTION	13	chain 'D' and (resid 2 through 6 )
14	X-RAY DIFFRACTION	14	chain 'E' and (resid 0 through 863 )
15	X-RAY DIFFRACTION	15	chain 'E' and (resid 864 through 970 )
16	X-RAY DIFFRACTION	16	chain 'E' and (resid 971 through 1299 )
17	X-RAY DIFFRACTION	17	chain 'F' and (resid -18 through 1 )
18	X-RAY DIFFRACTION	18	chain 'F' and (resid 2 through 6 )
19	X-RAY DIFFRACTION	19	chain 'G' and (resid 0 through 863 )
20	X-RAY DIFFRACTION	20	chain 'G' and (resid 864 through 999 )
21	X-RAY DIFFRACTION	21	chain 'G' and (resid 1000 through 1299 )
22	X-RAY DIFFRACTION	22	chain 'H' and (resid -18 through -14 )
23	X-RAY DIFFRACTION	23	chain 'H' and (resid -13 through -9 )
24	X-RAY DIFFRACTION	24	chain 'H' and (resid -8 through 1 )
25	X-RAY DIFFRACTION	25	chain 'H' and (resid 2 through 6 )

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