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- PDB-1q1w: Crystal Structure of Putidaredoxin Reductase from Pseudomonas putida -
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Open data
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Basic information
Entry | Database: PDB / ID: 1q1w | ||||||
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Title | Crystal Structure of Putidaredoxin Reductase from Pseudomonas putida | ||||||
![]() | Putidaredoxin reductase | ||||||
![]() | OXIDOREDUCTASE / glutathione reductase fold | ||||||
Function / homology | ![]() putidaredoxin-NAD+ reductase / (+)-camphor catabolic process / oxidoreductase activity, acting on NAD(P)H / flavin adenine dinucleotide binding / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Sevrioukova, I.F. / Li, H. / Poulos, T.L. | ||||||
![]() | ![]() Title: Crystal structure of putidaredoxin reductase from Pseudomonas putida, the final structural component of the cytochrome P450cam monooxygenase. Authors: Sevrioukova, I.F. / Li, H. / Poulos, T.L. | ||||||
History |
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Remark 600 | HETEROGEN The het groups FAD 449 and FAD 450 are associated with chain A and chain B, respectively. |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 176.4 KB | Display | ![]() |
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PDB format | ![]() | 140.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 918.1 KB | Display | ![]() |
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Full document | ![]() | 935.1 KB | Display | |
Data in XML | ![]() | 34.5 KB | Display | |
Data in CIF | ![]() | 48 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1q1rSC S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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2 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 46780.207 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: P16640, Oxidoreductases; Acting on iron-sulfur proteins as donors; With NAD+ or NADP+ as acceptor #2: Chemical | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.25 Å3/Da / Density % sol: 62.17 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 8 Details: lithium sulfate, lithium acetate, lithium formate, bis-tris propane, glycerol, dithiothreitol, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion, sitting drop | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 200 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: May 10, 2001 / Details: mirrors |
Radiation | Monochromator: Yale mirrors / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.6→50 Å / Num. all: 38331 / Num. obs: 37324 / % possible obs: 97.4 % / Observed criterion σ(F): 1 / Observed criterion σ(I): -3 / Redundancy: 3.6 % / Biso Wilson estimate: 55 Å2 / Rmerge(I) obs: 0.077 / Rsym value: 0.104 / Net I/σ(I): 12 |
Reflection shell | Resolution: 2.6→2.69 Å / Redundancy: 1.5 % / Rmerge(I) obs: 0.561 / Mean I/σ(I) obs: 2 / Num. unique all: 3374 / Rsym value: 0.625 / % possible all: 94.3 |
Reflection | *PLUS Highest resolution: 2.6 Å / Num. obs: 37470 / % possible obs: 97.1 % |
Reflection shell | *PLUS % possible obs: 91.3 % |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB entry 1Q1R Resolution: 2.6→47.68 Å / Rfactor Rfree error: 0.006 / Data cutoff high absF: 1814069.64 / Data cutoff high rms absF: 1814069.64 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 1 / σ(I): 3 / Stereochemistry target values: Engh & Huber
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 29.3881 Å2 / ksol: 0.37033 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 36.8 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.6→47.68 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.6→2.69 Å / Rfactor Rfree error: 0.024 / Total num. of bins used: 10
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Xplor file |
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Refinement | *PLUS Lowest resolution: 50 Å / % reflection Rfree: 5 % / Rfactor Rfree: 0.238 / Rfactor Rwork: 0.204 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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