1IEI
CRYSTAL STRUCTURE OF HUMAN ALDOSE REDUCTASE COMPLEXED WITH THE INHIBITOR ZENARESTAT.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6B |
| Synchrotron site | Photon Factory |
| Beamline | BL-6B |
| Temperature [K] | 100 |
| Detector technology | DIFFRACTOMETER |
| Detector | WEISSENBERG |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 40.400, 47.970, 47.660 |
| Unit cell angles | 76.20, 76.70, 67.50 |
Refinement procedure
| Resolution | 8.000 * - 2.500 |
| R-factor | 0.178 * |
| Rwork | 0.178 |
| R-free | 0.19900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.039 |
| RMSD bond angle | 4.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (98.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.060 | 0.091 |
| Number of reflections | 10355 * | |
| <I/σ(I)> | 17.7 | |
| Completeness [%] | 94.6 | 83.7 |
| Redundancy | 2.2 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | PEG6000, sodium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 14 (mg/ml) | |
| 2 | 1 | drop | citrate | 50 (mM) | pH5.0 |
| 3 | 1 | drop | 2-mercaptoethanol | 7 (mM) | |
| 4 | 1 | drop | zenarestat | 1 (mM) | |
| 5 | 1 | reservoir | PEG6000 | 20-22.5 (%(w/v)) | |
| 6 | 1 | reservoir | citrate | 50 (mM) | pH5.0 |
