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Yorodumi- PDB-3mux: The Crystal Structure of a putative 4-hydroxy-2-oxoglutarate aldo... -
+Open data
-Basic information
Entry | Database: PDB / ID: 3mux | ||||||
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Title | The Crystal Structure of a putative 4-hydroxy-2-oxoglutarate aldolase from Bacillus anthracis to 1.45A | ||||||
Components | putative 4-hydroxy-2-oxoglutarate aldolase | ||||||
Keywords | LYASE / PSI / MCSG / Structural Genomics / Midwest Center for Structural Genomics / Protein Structure Initiative | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Bacillus anthracis (anthrax bacterium) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / Resolution: 1.45 Å | ||||||
Authors | Stein, A.J. / Hatzos-Skintges, C. / Clancy, S. / Joachimiak, A. / Midwest Center for Structural Genomics (MCSG) | ||||||
Citation | Journal: To be Published Title: The Crystal Structure of a putative 4-hydroxy-2-oxoglutarate aldolase from Bacillus anthracis to 1.45A Authors: Stein, A.J. / Hatzos-Skintges, C. / Clancy, S. / Joachimiak, A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3mux.cif.gz | 212.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3mux.ent.gz | 179.2 KB | Display | PDB format |
PDBx/mmJSON format | 3mux.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/mu/3mux ftp://data.pdbj.org/pub/pdb/validation_reports/mu/3mux | 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: 27149.150 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bacillus anthracis (anthrax bacterium) / Strain: Sterne / Gene: BAS4738, BA_5098, GBAA5098, GBAA_5098 / Plasmid: pMCSG19 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q81KA6, UniProt: A0A6L7GXV7*PLUS #2: Chemical | #3: Chemical | #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: 2.32 Å3/Da / Density % sol: 47 % |
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Crystal grow | Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 8.5 Details: 25% PEG 4000, 0.1M Tris pH 8.5, 0.2M Calcium chloride, 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: 0.9794 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Dec 1, 2009 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation | Monochromator: Double crystal / Protocol: SINGLE WAVELENGTH / Scattering type: x-ray | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 0.9794 Å / Relative weight: 1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection | Resolution: 1.45→50 Å / Num. obs: 89726 / % possible obs: 99.8 % / Redundancy: 5.5 % / Rmerge(I) obs: 0.09 / Χ2: 2.678 / Net I/σ(I): 9.6 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection shell |
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-Processing
Software |
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Refinement | Resolution: 1.45→29.15 Å / Cor.coef. Fo:Fc: 0.97 / Cor.coef. Fo:Fc free: 0.96 / SU B: 1.813 / SU ML: 0.032 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R Free: 0.059 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 16.647 Å2
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Refinement step | Cycle: LAST / Resolution: 1.45→29.15 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.447→1.485 Å / Total num. of bins used: 20
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