1Z8A
Human Aldose Reductase complexed with novel Sulfonyl-pyridazinone Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-05-28 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.91838 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.390, 66.860, 47.370 |
| Unit cell angles | 90.00, 91.88, 90.00 |
Refinement procedure
| Resolution | 15.000 - 0.950 |
| R-factor | 0.122 |
| Rwork | 0.122 |
| R-free | 0.14200 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1el3 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 0.034 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 0.970 |
| High resolution limit [Å] | 0.950 | 0.950 |
| Number of reflections | 188551 | |
| <I/σ(I)> | 2.4 | |
| Completeness [%] | 97.6 | 91.6 |
| Redundancy | 2.9 | 2.3 |
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 |
