5OU0
Crystal structure of human AKR1B1 complexed with NADP+ and compound 37
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-03 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 0.8 |
| Spacegroup name | P 1 |
| Unit cell lengths | 39.758, 46.771, 47.157 |
| Unit cell angles | 76.45, 67.76, 78.18 |
Refinement procedure
| Resolution | 31.500 - 0.940 |
| R-factor | 0.13 |
| Rwork | 0.129 |
| R-free | 0.14300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4igs |
| RMSD bond length | 0.026 |
| RMSD bond angle | 1.972 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.500 | 0.970 |
| High resolution limit [Å] | 0.940 | 0.940 |
| Rmeas | 0.025 | 0.270 |
| Number of reflections | 181549 | 14598 |
| <I/σ(I)> | 38.95 | 4.2 |
| Completeness [%] | 91.9 | 74.7 |
| Redundancy | 3.3 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 297 | 20% PEG 6000, 50 mM MES, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 297K |
