2DV0
Human Aldose Reductase complexed with zopolrestat after 6 days soaking(6days_soaked_2)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-09-17 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.470, 67.120, 47.150 |
Unit cell angles | 90.00, 92.99, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.620 |
R-factor | 0.19 |
Rwork | 0.187 |
R-free | 0.27000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1el3 |
RMSD bond length | 0.008 |
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] | 20.000 | 1.650 |
High resolution limit [Å] | 1.620 | 1.620 |
Rmerge | 0.072 | 0.408 |
Number of reflections | 27889 | |
<I/σ(I)> | 13.2 | 2 |
Completeness [%] | 71.1 | 65.7 |
Redundancy | 1.9 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 25% PEG 6000, 120mM citrate buffer, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |