7W1W
NADPH-bound AKR4C17 mutant F291D
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | LIQUID ANODE |
Source details | BRUKER METALJET |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2021-10-10 |
Detector | BRUKER PHOTON 100 |
Wavelength(s) | 1.34138 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.879, 81.558, 68.896 |
Unit cell angles | 90.00, 104.25, 90.00 |
Refinement procedure
Resolution | 34.830 - 1.820 |
R-factor | 0.1428 |
Rwork | 0.141 |
R-free | 0.18550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3h7u |
RMSD bond length | 0.010 |
RMSD bond angle | 1.590 |
Data reduction software | SAINT |
Data scaling software | SAINT |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.830 | 1.850 |
High resolution limit [Å] | 1.820 | 1.820 |
Rmerge | 0.083 | 0.350 |
Number of reflections | 48742 | 2276 |
<I/σ(I)> | 11.51 | 2.88 |
Completeness [%] | 99.6 | |
Redundancy | 4.55 | |
CC(1/2) | 0.997 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 297 | 30 % PEG 4000, 0.2 M MgCl2, 0.1 M Tris pH 8.5 |