6GXK
Crystal structure of Aldo-Keto Reductase 1C3 (AKR1C3) complexed with inhibitor.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-07-07 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | P 1 |
Unit cell lengths | 47.308, 49.037, 83.659 |
Unit cell angles | 73.74, 86.74, 70.08 |
Refinement procedure
Resolution | 44.437 - 1.700 |
R-factor | 0.162 |
Rwork | 0.160 |
R-free | 0.19870 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.981 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.240 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.056 | 0.588 |
Rmeas | 0.065 | 0.689 |
Rpim | 0.034 | 0.357 |
Number of reflections | 71030 | 10270 |
<I/σ(I)> | 13 | 2.1 |
Completeness [%] | 95.2 | 94.2 |
Redundancy | 3.6 | 3.7 |
CC(1/2) | 0.999 | 0.824 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 10mM MES pH6.0, 25% PEG8000 |