2PFH
Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution is less than 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 | 2006-07-15 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.147, 66.553, 47.238 |
| Unit cell angles | 90.00, 92.31, 90.00 |
Refinement procedure
| Resolution | 50.000 - 0.850 |
| R-factor | 0.0822 |
| Rwork | 0.082 |
| R-free | 0.09480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1us0 |
| RMSD bond length | 0.026 |
| RMSD bond angle | 0.055 |
| 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 | 0.880 |
| High resolution limit [Å] | 0.850 | 0.850 |
| Rmerge | 0.082 | 0.143 |
| Number of reflections | 240860 | |
| <I/σ(I)> | 16.32 | 5.5 |
| Completeness [%] | 95.4 | 69.47 |
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 |
