1T40
Crystal structure of human aldose reductase complexed with NADP and IDD552 at ph 5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 300 |
| Detector technology | AREA DETECTOR |
| Collection date | 2000-11-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9797 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.000, 67.240, 47.780 |
| Unit cell angles | 90.00, 92.50, 90.00 |
Refinement procedure
| Resolution | 7.990 - 1.800 |
| R-factor | 0.159 |
| Rwork | 0.159 |
| R-free | 0.19300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.600 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.047 | 0.170 |
| Number of reflections | 29192 | |
| <I/σ(I)> | 12 | 5.4 |
| Completeness [%] | 95.5 | 80 |
| Redundancy | 1.5 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 300 | PEG 6000, AMMONIUM CITRATE, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
