+Open data
-Basic information
Entry | Database: PDB / ID: 5xun | ||||||
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Title | Crystal structure of Y145F mutant of KacT | ||||||
Components | Acetyltransferase | ||||||
Keywords | TOXIN / Klebsiella pneumoniae | ||||||
Function / homology | Acetyltransferase (GNAT) domain / N-acetyltransferase activity / Gcn5-related N-acetyltransferase (GNAT) domain profile. / GNAT domain / Acyl-CoA N-acyltransferase / ACETYL COENZYME *A / ACETATE ION / GNAT family N-acetyltransferase / Putative GCN5-related N-acetyltransferase Function and homology information | ||||||
Biological species | Klebsiella pneumoniae (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2 Å | ||||||
Authors | Qian, H.L. / Yao, Q.Q. / Gan, J.H. / Ou, H.Y. | ||||||
Funding support | China, 1items
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Citation | Journal: Mol. Microbiol. / Year: 2018 Title: Identification and characterization of acetyltransferase-type toxin-antitoxin locus in Klebsiella pneumoniae Authors: Qian, H. / Yao, Q. / Tai, C. / Deng, Z. / Gan, J. / Ou, H.Y. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5xun.cif.gz | 88.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5xun.ent.gz | 65.7 KB | Display | PDB format |
PDBx/mmJSON format | 5xun.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 5xun_validation.pdf.gz | 960.1 KB | Display | wwPDB validaton report |
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Full document | 5xun_full_validation.pdf.gz | 962.8 KB | Display | |
Data in XML | 5xun_validation.xml.gz | 17.3 KB | Display | |
Data in CIF | 5xun_validation.cif.gz | 23.9 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/xu/5xun ftp://data.pdbj.org/pub/pdb/validation_reports/xu/5xun | HTTPS FTP |
-Related structure data
Related structure data | 5fvjS S: Starting model for refinement |
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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
#1: Protein | Mass: 19842.652 Da / Num. of mol.: 2 / Mutation: Y145F Source method: isolated from a genetically manipulated source Source: (gene. exp.) Klebsiella pneumoniae (bacteria) / Gene: AGG09_10975, BB749_24230, BL127_018840, BL143_022465 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: A0A081LU80, UniProt: A6THQ8*PLUS #2: Chemical | #3: Chemical | ChemComp-ACT / | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.6 Å3/Da / Density % sol: 52.61 % / Description: Rod |
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Crystal grow | Temperature: 296 K / Method: vapor diffusion, sitting drop / pH: 8 / Details: 0.2 M Sodium acetate trihydrate, 20% (w/v) PEG3350 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SSRF / Beamline: BL19U1 / Wavelength: 0.97928 Å |
Detector | Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Feb 27, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97928 Å / Relative weight: 1 |
Reflection | Resolution: 2→30 Å / Num. obs: 29178 / % possible obs: 99.5 % / Redundancy: 8.4 % / Rmerge(I) obs: 0.11 / Net I/σ(I): 16 |
Reflection shell | Resolution: 2→2.07 Å / Redundancy: 5.3 % / Rmerge(I) obs: 0.49 / Mean I/σ(I) obs: 2.6 / Num. unique obs: 2829 / % possible all: 98.5 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 5FVJ Resolution: 2→28.527 Å / SU ML: 0.23 / Cross valid method: FREE R-VALUE / σ(F): 1.5 / Phase error: 21.56
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2→28.527 Å
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Refine LS restraints |
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LS refinement shell |
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