5LIK
Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK181
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-04-05 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 31 |
Unit cell lengths | 78.661, 78.661, 48.221 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.748 - 2.050 |
R-factor | 0.203 |
Rwork | 0.201 |
R-free | 0.24440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zua |
RMSD bond length | 0.019 |
RMSD bond angle | 1.447 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.120 |
High resolution limit [Å] | 2.050 | 2.050 |
Number of reflections | 20884 | |
<I/σ(I)> | 24.58 | 3.17 |
Completeness [%] | 99.7 | 98.5 |
Redundancy | 5 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 30% PEG 6000, 100 mM sodium cacodylate |