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 |
