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Yorodumi- PDB-2ae6: Crystal Structure of Acetyltransferase of GNAT family from Entero... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2ae6 | ||||||
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Title | Crystal Structure of Acetyltransferase of GNAT family from Enterococcus faecalis V583 | ||||||
Components | acetyltransferase, GNAT family | ||||||
Keywords | TRANSFERASE / GCN5-related N-acetyltransferase (GNAT) / alpha-beta / Structural Genomics / PSI / Protein Structure Initiative / Midwest Center for Structural Genomics / MCSG | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Enterococcus faecalis (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 2.19 Å | ||||||
Authors | Kim, Y. / Hatzos, C. / Moy, S. / Collart, F. / Joachimiak, A. / Midwest Center for Structural Genomics (MCSG) | ||||||
Citation | Journal: To be Published Title: Crystal Structure of Acetyltransferase of GNAT family from Enterococcus faecalis V583 Authors: Kim, Y. / Hatzos, C. / Moy, S. / Collart, F. / Joachimiak, A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2ae6.cif.gz | 130.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2ae6.ent.gz | 109.1 KB | Display | PDB format |
PDBx/mmJSON format | 2ae6.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ae/2ae6 ftp://data.pdbj.org/pub/pdb/validation_reports/ae/2ae6 | HTTPS FTP |
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-Related structure data
Similar structure data | |
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Other databases |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 19002.869 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Enterococcus faecalis (bacteria) / Strain: V583 / Plasmid: pMCSG7 / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21DE3 / References: UniProt: Q839D1, Transferases; Acyltransferases #2: Chemical | #3: Chemical | #4: Chemical | #5: 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: 3 Å3/Da / Density % sol: 59.6 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: ETHANOL, HEPES, Magnesium Chloride, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.9791 / Wavelength: 0.9791 Å |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Feb 7, 2005 / Details: mirrors |
Radiation | Monochromator: double crystal monochrmoator / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9791 Å / Relative weight: 1 |
Reflection | Resolution: 2.19→58.82 Å / Num. all: 42070 / Num. obs: 40808 / % possible obs: 96.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 9.8 % / Rmerge(I) obs: 0.081 / Net I/σ(I): 12.7 |
Reflection shell | Resolution: 2.19→2.28 Å / Redundancy: 5.3 % / Rmerge(I) obs: 0.613 / Mean I/σ(I) obs: 1.8 / Num. unique all: 3778 / % possible all: 90.3 |
-Processing
Software |
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Refinement | Method to determine structure: SAD / Resolution: 2.19→58.82 Å / Cor.coef. Fo:Fc: 0.949 / Cor.coef. Fo:Fc free: 0.925 / SU B: 11.159 / SU ML: 0.155 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.267 / ESU R Free: 0.221 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HKL-3000 and RESOLVE were also used in the structure solution process.
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 56.023 Å2
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Refinement step | Cycle: LAST / Resolution: 2.19→58.82 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.19→2.251 Å / Total num. of bins used: 20
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