2HV5
Human Aldose Reductase complexed with inhibitor zopolrestat after three days soaking (3days_soaked_3)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-09-19 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.585, 66.970, 47.328 |
| Unit cell angles | 90.00, 92.24, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.590 |
| R-factor | 0.17 |
| Rwork | 0.167 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1el3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 2.200 |
| 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] | 30.000 | 1.620 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.047 | 0.511 |
| Number of reflections | 36929 | |
| <I/σ(I)> | 17.4 | 1.8 |
| Completeness [%] | 89.0 | 88.3 |
| Redundancy | 2.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | PEG 6000 25%, 120mM citrate buffer, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
