7C7F
Crystal structures of AKR1C3 binary complex with NADP+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-05 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1 |
Spacegroup name | P 1 |
Unit cell lengths | 39.918, 52.140, 76.885 |
Unit cell angles | 77.24, 86.36, 77.73 |
Refinement procedure
Resolution | 46.250 - 1.700 |
R-factor | 0.2256 |
Rwork | 0.223 |
R-free | 0.26760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3r43 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.185 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.250 | 1.761 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.068 | 0.617 |
Rmeas | 0.082 | 0.735 |
Number of reflections | 62319 | 6230 |
<I/σ(I)> | 10.37 | |
Completeness [%] | 95.8 | |
Redundancy | 3.5 | |
CC(1/2) | 0.995 | 0.754 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 25-30% (w/v) polyethylene glycol 3350 (PEG3350), 200 mM sodium acetate and 100 mM cacodylate, pH 6.6 |