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Yorodumi- PDB-3i1i: X-ray crystal structure of homoserine O-acetyltransferase from Ba... -
+Open data
-Basic information
Entry | Database: PDB / ID: 3i1i | ||||||
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Title | X-ray crystal structure of homoserine O-acetyltransferase from Bacillus anthracis | ||||||
Components | Homoserine O-acetyltransferase | ||||||
Keywords | TRANSFERASE / structural genomics / IDP01610 / homoserine / O-acetyltransferase / Bacillus anthracis / Center for Structural Genomics of Infectious Diseases / CSGID | ||||||
Function / homology | Function and homology information homoserine O-acetyltransferase / acyltransferase activity, transferring groups other than amino-acyl groups / amino acid biosynthetic process / Transferases; Acyltransferases; Transferring groups other than aminoacyl groups / cytoplasm Similarity search - Function | ||||||
Biological species | Bacillus anthracis str. 'Ames Ancestor' (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 2.44 Å | ||||||
Authors | Osipiuk, J. / Zhou, M. / Grimshaw, S. / Anderson, W.F. / Joachimiak, A. / Center for Structural Genomics of Infectious Diseases (CSGID) | ||||||
Citation | Journal: To be published Title: X-ray crystal structure of homoserine O-acetyltransferase from Bacillus anthracis. Authors: Osipiuk, J. / Zhou, M. / Grimshaw, S. / Anderson, W.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 | 3i1i.cif.gz | 166 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3i1i.ent.gz | 139.1 KB | Display | PDB format |
PDBx/mmJSON format | 3i1i.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 3i1i_validation.pdf.gz | 468.7 KB | Display | wwPDB validaton report |
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Full document | 3i1i_full_validation.pdf.gz | 475.3 KB | Display | |
Data in XML | 3i1i_validation.xml.gz | 31.2 KB | Display | |
Data in CIF | 3i1i_validation.cif.gz | 45.3 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/i1/3i1i ftp://data.pdbj.org/pub/pdb/validation_reports/i1/3i1i | HTTPS FTP |
-Related structure data
Similar structure data | |
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Other databases |
-Links
-Assembly
Deposited unit |
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2 |
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Unit cell |
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Details | AUTHORS STATE THAT THE ASSEMBLY OF THE BIOLOGICAL UNIT THAT IS SHOWN IN REMARK 350 IS PUTATIVE. |
-Components
#1: Protein | Mass: 43720.152 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bacillus anthracis str. 'Ames Ancestor' (bacteria) Strain: Ames Ancestor, A2084 / Gene: BAS4629, BA_4983, GBAA4983, GBAA_4983 / Plasmid: pMCSG7 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q81KL4, UniProt: A0A6L7HCR9*PLUS #2: Chemical | #3: Chemical | ChemComp-ACT / | #4: Chemical | ChemComp-GOL / | #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: 3.7 Å3/Da / Density % sol: 66.75 % |
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Crystal grow | Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 8.5 Details: 0.1 M Tris buffer, 1 M Ammonium phosphate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.9792 Å |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Mar 30, 2009 |
Radiation | Monochromator: double crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9792 Å / Relative weight: 1 |
Reflection | Resolution: 2.44→47.3 Å / Num. all: 50355 / Num. obs: 50355 / % possible obs: 99.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 12.3 % / Biso Wilson estimate: 49.4 Å2 / Rmerge(I) obs: 0.134 / Χ2: 2.425 / Net I/σ(I): 28.003 |
Reflection shell | Resolution: 2.44→2.48 Å / Redundancy: 8 % / Rmerge(I) obs: 0.791 / Mean I/σ(I) obs: 2.81 / Num. unique all: 2470 / Χ2: 0.988 / % possible all: 99.4 |
-Processing
Software |
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Refinement | Method to determine structure: SAD / Resolution: 2.44→47.3 Å / Cor.coef. Fo:Fc: 0.96 / Cor.coef. Fo:Fc free: 0.943 / Occupancy max: 1 / Occupancy min: 0.2 / SU B: 10.128 / SU ML: 0.106 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / ESU R: 0.218 / ESU R Free: 0.18 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. 2. U VALUES: RESIDUAL ONLY.
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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 max: 65.1 Å2 / Biso mean: 28.708 Å2 / Biso min: 4.27 Å2
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Refinement step | Cycle: LAST / Resolution: 2.44→47.3 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.44→2.5 Å / Total num. of bins used: 20
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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