3WCZ
Crystal structure of Bombyx mori aldo-keto reductase (AKR2E4) in complex with NADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.089, 55.359, 59.197 |
Unit cell angles | 90.00, 106.80, 90.00 |
Refinement procedure
Resolution | 34.500 - 1.300 |
R-factor | 0.152 |
Rwork | 0.151 |
R-free | 0.16400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hdj |
RMSD bond length | 0.012 |
RMSD bond angle | 1.502 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE: 1.7.1_743)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.503 | |
High resolution limit [Å] | 1.300 | 1.300 |
Number of reflections | 69041 | |
Completeness [%] | 98.5 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295.15 | 1M SODIUM CITRATE, 0.1M CACODYLATE (PH 6.5), VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295.15K |