4XZH
Crystal structure of human Aldose Reductase complexed with NADP+ and JF0048
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 | 2011-11-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.70850 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.485, 46.684, 68.315 |
| Unit cell angles | 75.02, 78.93, 74.42 |
Refinement procedure
| Resolution | 35.582 - 1.000 |
| R-factor | 0.1494 |
| Rwork | 0.149 |
| R-free | 0.16100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1us0 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.446 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: dev_1426)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.040 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.232 | |
| Number of reflections | 246041 | |
| <I/σ(I)> | 22.31 | 2.44 |
| Completeness [%] | 85.9 | 73.3 |
| Redundancy | 1.6 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | PEG 6000, ammonium citrate, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
