1Z89
Human Aldose Reductase complexed with novel Sulfonyl-pyridazinone Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-06-14 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.400, 66.900, 47.400 |
| Unit cell angles | 90.00, 92.10, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.430 |
| R-factor | 0.164 |
| Rwork | 0.163 |
| R-free | 0.20600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1el3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.029 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.450 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Number of reflections | 55802 | |
| <I/σ(I)> | 21.7 | 1.9 |
| Completeness [%] | 97.8 | 92.9 |
| Redundancy | 2.9 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | ammonium citrate, PEG 6000, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
