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- PDB-1jez: THE STRUCTURE OF XYLOSE REDUCTASE, A DIMERIC ALDO-KETO REDUCTASE ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1jez | ||||||
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Title | THE STRUCTURE OF XYLOSE REDUCTASE, A DIMERIC ALDO-KETO REDUCTASE FROM CANDIDA TENUIS | ||||||
![]() | XYLOSE REDUCTASE | ||||||
![]() | OXIDOREDUCTASE / TIM BARREL / ALDO-KETO REDUCTASE / NADPH / NADH | ||||||
Function / homology | ![]() D-xylose reductase [NAD(P)H] / D-xylose reductase (NADPH) activity / D-xylose catabolic process / cytosol Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Kavanagh, K.L. / Klimacek, M. / Nidetzky, B. / Wilson, D.K. | ||||||
![]() | ![]() Title: The structure of apo and holo forms of xylose reductase, a dimeric aldo-keto reductase from Candida tenuis. Authors: Kavanagh, K.L. / Klimacek, M. / Nidetzky, B. / Wilson, D.K. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 136.1 KB | Display | ![]() |
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PDB format | ![]() | 106.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 374.7 KB | Display | ![]() |
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Full document | ![]() | 380.7 KB | Display | |
Data in XML | ![]() | 12.9 KB | Display | |
Data in CIF | ![]() | 21.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1k8cC ![]() 1adsS C: citing same article ( S: Starting model for refinement |
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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: 36062.199 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.34 Å3/Da / Density % sol: 47.4 % | ||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 5.6 Details: 30% PEG 4000, 200mM ammonium acetate, 100 mM sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP at 298K | ||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: Feb 16, 2001 / Details: mirrors |
Radiation | Monochromator: Ni MIRROR + Ni FILTER / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.2→100 Å / Num. all: 33863 / Num. obs: 33457 / % possible obs: 98.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 3.26 % / Biso Wilson estimate: 15.9 Å2 / Rmerge(I) obs: 0.089 / Net I/σ(I): 12.8 |
Reflection shell | Resolution: 2.2→2.28 Å / Redundancy: 3.1 % / Rmerge(I) obs: 0.406 / Mean I/σ(I) obs: 3.1 / % possible all: 97.3 |
Reflection | *PLUS Lowest resolution: 100 Å / Num. measured all: 109237 / Rmerge(I) obs: 0.089 |
Reflection shell | *PLUS % possible obs: 97.3 % / Rmerge(I) obs: 0.406 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: modified 1ADS Resolution: 2.2→20 Å / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber
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Displacement parameters |
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Refinement step | Cycle: LAST / Resolution: 2.2→20 Å
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Refine LS restraints |
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Refinement | *PLUS Lowest resolution: 20 Å / Num. reflection obs: 30391 / Rfactor obs: 0.179 / Rfactor Rfree: 0.233 / Rfactor Rwork: 0.179 | ||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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