+Open data
-Basic information
Entry | Database: PDB / ID: 3gja | ||||||
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Title | CytC3 | ||||||
Components | CytC3 | ||||||
Keywords | BIOSYNTHETIC PROTEIN / CytC3 / halogenase / beta barrel | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Streptomyces (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.2 Å | ||||||
Authors | Wong, C. / Drennan, C.L. | ||||||
Citation | Journal: J.Am.Chem.Soc. / Year: 2009 Title: Structural analysis of an open active site conformation of nonheme iron halogenase CytC3 Authors: Wong, C. / Fujimori, D.G. / Walsh, C.T. / Drennan, C.L. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3gja.cif.gz | 124.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3gja.ent.gz | 95.7 KB | Display | PDB format |
PDBx/mmJSON format | 3gja.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/gj/3gja ftp://data.pdbj.org/pub/pdb/validation_reports/gj/3gja | HTTPS FTP |
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-Related structure data
Related structure data | 3gjbC 2fctS C: citing same article (ref.) S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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Unit cell |
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-Components
#1: Protein | Mass: 36484.574 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptomyces (bacteria) / Strain: pSPHE02 / Gene: cytC3 / Plasmid: pET28b / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: D0VX22*PLUS #2: Chemical | ChemComp-ACT / #3: 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: 3.46 Å3/Da / Density % sol: 64.45 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 7 Details: 2.8 M sodium acetate trihydrate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: SSRL / Beamline: BL11-1 / Wavelength: 1 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Detector | Type: MARMOSAIC 325 mm CCD / Detector: CCD / Date: Jun 1, 2006 / Details: inter-image dead time 5s | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation | Monochromator: side scattering bent cube-root I-beam single crystal Protocol: SINGLE WAVELENGTH / Scattering type: x-ray | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection | Resolution: 2.2→50 Å / Num. obs: 50903 / % possible obs: 95.9 % / Rmerge(I) obs: 0.056 / Χ2: 1.136 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection shell |
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-Phasing
Phasing | Method: molecular replacement | |||||||||
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Phasing MR | Model details: Phaser MODE: MR_AUTO
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-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB entry 2FCT Resolution: 2.2→44.52 Å / Occupancy max: 1 / Occupancy min: 1 / FOM work R set: 0.806 / σ(F): 0
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Solvent computation | Bsol: 50.807 Å2 | ||||||||||||||||||||||||
Displacement parameters | Biso max: 96.75 Å2 / Biso mean: 45.732 Å2 / Biso min: 25.51 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.2→44.52 Å
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Refine LS restraints |
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Xplor file |
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