1AH3
ALDOSE REDUCTASE COMPLEXED WITH TOLRESTAT INHIBITOR
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | LURE BEAMLINE DW32 |
| Synchrotron site | LURE |
| Beamline | DW32 |
| Temperature [K] | 273 |
| Detector technology | IMAGE PLATE |
| Collection date | 1994-07 |
| Detector | MARRESEARCH |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 68.420, 68.420, 153.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 6.000 - 2.300 |
| R-factor | 0.207 |
| Rwork | 0.207 |
| R-free | 0.29000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ah4 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 25.100 * |
| Data reduction software | XDS |
| Data scaling software | MARSCALE |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.045 * | |
| Number of reflections | 15449 | |
| <I/σ(I)> | 42.5 | 8.7 |
| Completeness [%] | 92.0 | 66 |
| Redundancy | 5 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.2 | 6 MG/ML AR, 2.5% PEG 6000,25 MM MESPH 6.2 (DROP),20% PEG 6000,25 MM MESPH 6.2 (RESERVOIR) |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme | 15 (mg/ml) | |
| 10 | 1 | reservoir | PEG6000 | 25 (%) | |
| 2 | 1 | drop | MES | 75 (mM) | |
| 3 | 1 | drop | EDTA | 1 (mM) | |
| 4 | 1 | drop | dithiothreitol | 1 (mM) | |
| 5 | 1 | drop | PEG6000 | 2.5 (%(w/v)) | |
| 6 | 1 | reservoir | MES | 75 (mM) | |
| 7 | 1 | reservoir | EDTA | 1 (mM) | |
| 8 | 1 | reservoir | dithiothreitol | 1 (mM) | |
| 9 | 1 | drop | NADP+ |
