1T41
Crystal structure of human aldose reductase complexed with NADP and IDD552
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 300 |
| Detector technology | CCD |
| Collection date | 2002-12-01 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 0.90042 |
| Spacegroup name | P 1 |
| Unit cell lengths | 47.057, 47.525, 40.028 |
| Unit cell angles | 67.32, 76.79, 75.82 |
Refinement procedure
| Resolution | 10.000 - 1.050 |
| R-factor | 0.1084 |
| Rwork | 0.108 |
| R-free | 0.13330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | ALDOSE REDUCTASE HOLOENZYME |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.034 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.040 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Number of reflections | 151945 | |
| <I/σ(I)> | 20.4 | 1.85 |
| Completeness [%] | 91.6 | 73.7 |
| Redundancy | 4.9 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 300 | PEG6000, TrisHCl Buffer, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
