2HVN
Human Aldose Reductase-zopolrestat complex obtained by cocrystallisation after one day (1day_cocryst)
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 | 49.388, 66.933, 47.209 |
| Unit cell angles | 90.00, 93.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.580 |
| R-factor | 0.165 |
| Rwork | 0.163 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdb enty 1el3 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 2.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.610 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.094 | 0.402 |
| Number of reflections | 38031 | |
| <I/σ(I)> | 20.4 | 3.6 |
| Completeness [%] | 90.1 | 53.8 |
| Redundancy | 3.7 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | PEG 6000 25%, 120mM cirtrate buffer, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
