1AZ1
ALRESTATIN BOUND TO C298A/W219Y MUTANT HUMAN ALDOSE REDUCTASE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | ELLIOTT GX-6 |
| Temperature [K] | 277 |
| Detector technology | AREA DETECTOR |
| Collection date | 1994-06 |
| Detector | SIEMENS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.958, 67.068, 92.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.800 |
| R-factor | 0.177 |
| Rwork | 0.177 |
| R-free | 0.23200 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 2acs |
| RMSD bond length | 0.012 |
| RMSD bond angle | 25.680 * |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.075 * | 0.335 * |
| Total number of observations | 87251 * | |
| Number of reflections | 26959 | 3134 * |
| Completeness [%] | 92.0 | |
| Redundancy | 3.2 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5 * | 4 * | pH 6.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG6000 | 15-20 (%(w/w)) | |
| 2 | 1 | drop | protein | 14 (mg/ml) | |
| 3 | 1 | drop | PEG6000 | 15-20 (%(w/w)) | |
| 4 | 1 | drop | sodium citrate | 25 (mM) | |
| 5 | 1 | drop | beta-mercaptoethanol | 7 (mM) | |
| 6 | 1 | drop | NADP+ | 1 (mM) | |
| 7 | 1 | drop | Alrestatin | 1 (mM) |
