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Open data
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Basic information
Entry | Database: PDB / ID: 2rgj | ||||||
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Title | Crystal structure of flavin-containing monooxygenase PhzS | ||||||
![]() | Flavin-containing monooxygenase | ||||||
![]() | OXIDOREDUCTASE / monooxygenase / flavin / FAD / phenazine / pyocyanin / pseudomonas | ||||||
Function / homology | ![]() 5-methylphenazine-1-carboxylate 1-monooxygenase / 5-methylphenazine-1-carboxylate 1-monooxygenase (NADH) activity / monooxygenase activity / FAD binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Ladner, J.E. / Parsons, J.F. / Greenhagen, B.T. / Robinson, H. | ||||||
![]() | ![]() Title: Crystal Structure of the Pyocyanin Biosynthetic Protein PhzS. Authors: Greenhagen, B.T. / Shi, K. / Robinson, H. / Gamage, S. / Bera, A.K. / Ladner, J.E. / Parsons, J.F. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 83 KB | Display | ![]() |
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PDB format | ![]() | 67.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 727.8 KB | Display | ![]() |
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Full document | ![]() | 735.5 KB | Display | |
Data in XML | ![]() | 16.8 KB | Display | |
Data in CIF | ![]() | 22.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 44073.641 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: Q9HWG9, Oxidoreductases; Acting on paired donors, with incorporation or reduction of molecular oxygen; With NADH or NADPH as one donor, and incorporation of one atom of oxygen into the other donor |
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#2: Chemical | ChemComp-FAD / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.13 Å3/Da / Density % sol: 42.15 % |
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Crystal grow | Temperature: 298 K / Method: batch under oil Details: 19% PEG400, 0.1M ammonium nitrate, 0.1M sodium acetate, batch under oil, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Jun 13, 2007 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9792 Å / Relative weight: 1 |
Reflection | Resolution: 2.4→30 Å / Num. all: 15245 / Num. obs: 14742 / % possible obs: 96.7 % / Redundancy: 12.8 % / Biso Wilson estimate: 42.1 Å2 / Rmerge(I) obs: 0.088 / Net I/σ(I): 23.2 |
Reflection shell | Resolution: 2.4→2.49 Å / Redundancy: 8.4 % / Rmerge(I) obs: 0.272 / Mean I/σ(I) obs: 5.2 / % possible all: 80.3 |
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Processing
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Refinement | Method to determine structure: ![]()
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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: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 33.461 Å2
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Refinement step | Cycle: LAST / Resolution: 2.4→20 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.4→2.528 Å / Total num. of bins used: 10
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