2PDI
Human aldose reductase mutant L300A complexed with zopolrestat at 1.55 A.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-02-10 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.440, 66.860, 47.300 |
| Unit cell angles | 90.00, 92.95, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.550 |
| R-factor | 0.155 |
| Rwork | 0.154 |
| R-free | 0.19500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1el3 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.500 |
| 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] | 50.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.026 | 0.063 |
| Number of reflections | 41753 | |
| <I/σ(I)> | 36.6 | 13.2 |
| Completeness [%] | 93.3 | 46.9 |
| Redundancy | 2.5 | 1.7 |
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 |
