2FZ9
Human Aldose Reductase complexed with inhibitor zopolrestat after six days soaking.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-09-08 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.450, 67.100, 47.300 |
| Unit cell angles | 90.00, 92.43, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.600 |
| R-factor | 0.164 |
| Rwork | 0.162 |
| R-free | 0.22300 |
| Structure solution method | AB INITIO |
| Starting model (for MR) | 1el3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.026 |
| Data reduction software | CrystalClear ((MSC/RIGAKU)) |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 35630 | |
| <I/σ(I)> | 16.5 | 2.4 |
| Completeness [%] | 87.5 | 80.4 |
| Redundancy | 2.8 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 50 mM ammonium citrate, 25 % PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
