2PDH
Human aldose reductase mutant L300P complexed with uracil-type inhibitor at 1.45 A.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-02-05 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 40.162, 47.294, 46.991 |
| Unit cell angles | 75.89, 77.11, 67.50 |
Refinement procedure
| Resolution | 30.000 - 1.450 |
| R-factor | 0.176 |
| Rwork | 0.175 |
| R-free | 0.22300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1el3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 2.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.470 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.037 | 0.298 |
| Number of reflections | 46661 | |
| <I/σ(I)> | 24.6 | 2.2 |
| Completeness [%] | 85.8 | 42.9 |
| Redundancy | 1.9 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 20 % PEG 6000 in 120 mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
