2PDM
Human aldose reductase mutant S302R complexed with zopolrestat.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-02-22 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.460, 66.440, 47.350 |
| Unit cell angles | 90.00, 92.16, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.750 |
| R-factor | 0.174 |
| Rwork | 0.171 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1el3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 2.000 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.090 | 0.349 |
| Number of reflections | 29405 | |
| <I/σ(I)> | 17.1 | 2 |
| Completeness [%] | 94.5 | 66.9 |
| Redundancy | 3 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 20 % PEG 6000 in 120 mM ammonium citrate, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
