3S3G
Crystal Structure of Human Aldose Reductase Complexed with Tolmetin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-19 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.132, 66.571, 49.290 |
| Unit cell angles | 90.00, 92.02, 90.00 |
Refinement procedure
| Resolution | 24.008 - 1.800 |
| R-factor | 0.1626 |
| Rwork | 0.160 |
| R-free | 0.20450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1us0 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.363 |
| Data reduction software | CrysalisPro |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.700 | 24.700 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 27600 | |
| Completeness [%] | 96.1 | 96.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | 7.5% PEG 6000, 0.05M ammonium citrate, pH5.0 , VAPOR DIFFUSION, HANGING DROP, temperature 277K |
