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Yorodumi- PDB-6kc8: Crystal structure of WT Nme1Cas9 in complex with sgRNA and target... -
+Open data
-Basic information
Entry | Database: PDB / ID: 6kc8 | ||||||
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Title | Crystal structure of WT Nme1Cas9 in complex with sgRNA and target DNA (ATATGATT PAM) in post-cleavage state | ||||||
Components |
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Keywords | HYDROLASE/RNA/DNA / CRISPR-Cas9 / NmeCas9 / Nme1Cas9 / hydrolase / ternary complex / HYDROLASE-RNA-DNA complex | ||||||
Function / homology | Function and homology information maintenance of CRISPR repeat elements / defense response to virus / endonuclease activity / Hydrolases; Acting on ester bonds / DNA binding / RNA binding / metal ion binding Similarity search - Function | ||||||
Biological species | Neisseria meningitidis 8013 (bacteria) synthetic construct (others) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.9 Å | ||||||
Authors | Sun, W. / Yang, J. / Cheng, Z. / Liu, C. / Wang, K. / Huang, X. / Wang, Y. | ||||||
Funding support | China, 1items
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Citation | Journal: Mol.Cell / Year: 2019 Title: Structures of Neisseria meningitidis Cas9 Complexes in Catalytically Poised and Anti-CRISPR-Inhibited States. Authors: Sun, W. / Yang, J. / Cheng, Z. / Amrani, N. / Liu, C. / Wang, K. / Ibraheim, R. / Edraki, A. / Huang, X. / Wang, M. / Wang, J. / Liu, L. / Sheng, G. / Yang, Y. / Lou, J. / Sontheimer, E.J. / Wang, Y. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6kc8.cif.gz | 319 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6kc8.ent.gz | 241.6 KB | Display | PDB format |
PDBx/mmJSON format | 6kc8.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/kc/6kc8 ftp://data.pdbj.org/pub/pdb/validation_reports/kc/6kc8 | HTTPS FTP |
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-Related structure data
Related structure data | 6jdqC 6jdvSC 6je3C 6je4C 6je9C 6jfuC 6kc7C S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
-DNA chain , 3 types, 3 molecules CDP
#3: DNA chain | Mass: 6504.250 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) |
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#4: DNA chain | Mass: 3362.232 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: non-target DNA strand / Source: (synth.) synthetic construct (others) |
#5: DNA chain | Mass: 4286.841 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) |
-Protein / RNA chain / Non-polymers , 3 types, 10 molecules AB
#1: Protein | Mass: 124700.961 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Neisseria meningitidis 8013 (bacteria) / Strain: 8013 / Gene: cas9, NMV_1993 / Production host: Escherichia coli BL21(DE3) (bacteria) References: UniProt: C9X1G5, Hydrolases; Acting on ester bonds |
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#2: RNA chain | Mass: 43059.352 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) |
#6: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3.33 Å3/Da / Density % sol: 63.09 % |
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Crystal grow | Temperature: 289 K / Method: evaporation / pH: 7.2 Details: 19% PEG 3350, 0.2M Na citrate, 0.1M Bis-Tris propane pH 7.2 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: SSRF / Beamline: BL17U1 / Wavelength: 0.97918 Å |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jun 4, 2019 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97918 Å / Relative weight: 1 |
Reflection | Resolution: 2.9→50 Å / Num. obs: 56256 / % possible obs: 99.8 % / Redundancy: 7 % / CC1/2: 0.986 / Rmerge(I) obs: 0.207 / Rpim(I) all: 0.079 / Rrim(I) all: 0.222 / Χ2: 0.932 / Net I/σ(I): 12.9 |
Reflection shell | Resolution: 2.9→2.95 Å / Redundancy: 5.6 % / Rmerge(I) obs: 0.969 / Mean I/σ(I) obs: 1.6 / Num. unique obs: 2792 / CC1/2: 0.112 / Rpim(I) all: 0.409 / Rrim(I) all: 1.056 / Χ2: 0.831 / % possible all: 99.7 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 6JDV Resolution: 2.9→49.35 Å / Cor.coef. Fo:Fc: 0.899 / Cor.coef. Fo:Fc free: 0.833 / SU B: 17.902 / SU ML: 0.323 / Cross valid method: FREE R-VALUE / ESU R Free: 0.416 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 66.414 Å2
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Refinement step | Cycle: 1 / Resolution: 2.9→49.35 Å
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Refine LS restraints |
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