2IKI
Human aldose reductase complexed with halogenated IDD-type inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-09-04 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.361, 66.802, 47.318 |
| Unit cell angles | 90.00, 92.37, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.470 |
| R-factor | 0.149 |
| Rwork | 0.148 |
| R-free | 0.18300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1el3 |
| RMSD bond length | 0.011 |
| 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] | 25.000 | 1.500 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Rmerge | 0.034 | 0.130 |
| Number of reflections | 46959 | |
| <I/σ(I)> | 31.8 | 6 |
| Completeness [%] | 89.8 | 44 |
| Redundancy | 3 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 20% PEG 6000, 120mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
