4WEV
Crystal structure of human AKR1B10 complexed with NADP+ and sulindac
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-10-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.70849 |
| Spacegroup name | P 31 |
| Unit cell lengths | 78.848, 78.848, 50.127 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.142 - 1.453 |
| R-factor | 0.1887 |
| Rwork | 0.188 |
| R-free | 0.20670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zua |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.351 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.500 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.057 | 0.374 |
| Number of reflections | 60276 | |
| <I/σ(I)> | 17.9 | 3.33 |
| Completeness [%] | 98.1 | 97.2 |
| Redundancy | 3.9 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 30% PEG 6000, 100 mM sodium cacodylate |
