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Yorodumi- PDB-4bwt: Three-dimensional structure of Paracoccus pantotrophus pseudoazur... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4bwt | ||||||
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Title | Three-dimensional structure of Paracoccus pantotrophus pseudoazurin at pH 6.5 | ||||||
Components | PSEUDOAZURIN | ||||||
Keywords | ELECTRON TRANSPORT | ||||||
Function / homology | Function and homology information | ||||||
Biological species | PARACOCCUS PANTOTROPHUS (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.76 Å | ||||||
Authors | Freire, F. / Mestre, A. / Pinho, J. / Najmudin, S. / Bonifacio, C. / Pauleta, S.R. / Romao, M.J. | ||||||
Citation | Journal: To be Published Title: Exploring the Surface Determinants of Paracoccus Pantotrophus Pseudoazurin Authors: Freire, F. / Mestre, A. / Pinho, J. / Najmudin, S. / Bonifacio, C. / Pauleta, S.R. / Romao, M.J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4bwt.cif.gz | 120.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4bwt.ent.gz | 95.5 KB | Display | PDB format |
PDBx/mmJSON format | 4bwt.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/bw/4bwt ftp://data.pdbj.org/pub/pdb/validation_reports/bw/4bwt | HTTPS FTP |
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-Related structure data
Related structure data | 4bwuC 4bxvC 3erxS 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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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 13358.231 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) PARACOCCUS PANTOTROPHUS (bacteria) / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21 / References: UniProt: P80401 #2: Chemical | #3: Chemical | ChemComp-SO4 / #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 3.16 Å3/Da / Density % sol: 62 % / Description: NONE |
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Crystal grow | pH: 6.5 Details: 3.0 - 3.2 M AMMONIUM SULPHATE, 50 MM POTASSIUM PHOSPHATE PH 6.5 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID14-2 / Wavelength: 0.933 |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.933 Å / Relative weight: 1 |
Reflection | Resolution: 1.76→27.85 Å / Num. obs: 32561 / % possible obs: 98.5 % / Observed criterion σ(I): 11.8 / Redundancy: 3.4 % / Rmerge(I) obs: 0.06 / Net I/σ(I): 11.8 |
Reflection shell | Resolution: 1.76→1.8 Å / Redundancy: 3.5 % / Rmerge(I) obs: 0.16 / Mean I/σ(I) obs: 5.1 / % possible all: 97.4 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 3ERX Resolution: 1.76→27.85 Å / Cor.coef. Fo:Fc: 0.95 / Cor.coef. Fo:Fc free: 0.917 / SU B: 3.551 / SU ML: 0.065 / Cross valid method: THROUGHOUT / ESU R: 0.1 / ESU R Free: 0.103 / 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: 14.227 Å2
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Refinement step | Cycle: LAST / Resolution: 1.76→27.85 Å
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Refine LS restraints |
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