2PEV
Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution exceeds concentration of IDD594.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-01-01 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.247, 66.667, 47.226 |
| Unit cell angles | 90.00, 92.27, 90.00 |
Refinement procedure
| Resolution | 50.000 - 0.900 |
| R-factor | 0.0884 |
| Rwork | 0.088 |
| R-free | 0.10070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1us0 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.034 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 0.930 |
| High resolution limit [Å] | 0.900 | 0.900 |
| Rmerge | 0.089 | 0.180 |
| Number of reflections | 216325 | |
| <I/σ(I)> | 85.92 | 4.03 |
| Completeness [%] | 96.2 | 93.06 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 297 | micro-seeding, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 297K |
