+Open data
-Basic information
Entry | Database: PDB / ID: 2a67 | ||||||
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Title | Crystal structure of Isochorismatase family protein | ||||||
Components | isochorismatase family protein | ||||||
Keywords | STRUCTURAL GENOMICS / UNKNOWN FUNCTION / PSI / Protein Structure Initiative / Midwest Center for Structural Genomics / MCSG | ||||||
Function / homology | Isochorismatase-like / Isochorismatase-like / Isochorismatase-like superfamily / Isochorismatase family / catalytic activity / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta / Isochorismatase family protein Function and homology information | ||||||
Biological species | Enterococcus faecalis (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 2 Å | ||||||
Authors | Chang, C. / Hatzos, C. / Collart, F. / Moy, S. / Joachimiak, A. / Midwest Center for Structural Genomics (MCSG) | ||||||
Citation | Journal: To be Published Title: Crystal structure of Isochorismatase family protein Authors: Chang, C. / Hatzos, C. / Collart, F. / Moy, 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 | 2a67.cif.gz | 144.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2a67.ent.gz | 122.7 KB | Display | PDB format |
PDBx/mmJSON format | 2a67.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2a67_validation.pdf.gz | 452.2 KB | Display | wwPDB validaton report |
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Full document | 2a67_full_validation.pdf.gz | 468 KB | Display | |
Data in XML | 2a67_validation.xml.gz | 31 KB | Display | |
Data in CIF | 2a67_validation.cif.gz | 43.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/a6/2a67 ftp://data.pdbj.org/pub/pdb/validation_reports/a6/2a67 | 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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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 19231.400 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Enterococcus faecalis (bacteria) / Strain: V583 / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: Q82ZG7 #2: 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: 3.2 Å3/Da / Density % sol: 60.7 % |
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Crystal grow | Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 6.2 Details: PEG1000, Na/K Phosphate, NaCl, pH 6.2, 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-BM / Wavelength: 0.9791 Å |
Detector | Type: CUSTOM-MADE / Detector: CCD / Date: Jun 13, 2005 |
Radiation | Monochromator: double crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9791 Å / Relative weight: 1 |
Reflection | Resolution: 2→50 Å / Num. all: 63727 / Num. obs: 62962 / % possible obs: 98.8 % / Observed criterion σ(I): -5 / Redundancy: 7.3 % / Rmerge(I) obs: 0.08 / Net I/σ(I): 27.2 |
Reflection shell | Resolution: 2→2.07 Å / Redundancy: 5.5 % / Rmerge(I) obs: 0.384 / Mean I/σ(I) obs: 2.61 / % possible all: 89.3 |
-Processing
Software |
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Refinement | Method to determine structure: SAD / Resolution: 2→50 Å / Cor.coef. Fo:Fc: 0.958 / Cor.coef. Fo:Fc free: 0.939 / SU B: 7.863 / SU ML: 0.112 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.154 / ESU R Free: 0.147 / Stereochemistry target values: MAXIMUM LIKELIHOOD / 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 / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 32.773 Å2
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Refinement step | Cycle: LAST / Resolution: 2→50 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2→2.054 Å / Total num. of bins used: 20
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