2DUZ
Human Aldose Reductase complexed with inhibitor zopolrestat after 3 days soaking (3days_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 | 2005-09-16 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.400, 67.100, 47.200 |
Unit cell angles | 90.00, 92.80, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.600 |
R-factor | 0.164 |
Rwork | 0.162 |
R-free | 0.22100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1el3 |
RMSD bond length | 0.010 |
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 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.049 | 0.270 |
Number of reflections | 35051 | |
<I/σ(I)> | 23.2 | 3.4 |
Completeness [%] | 86.3 | 62.1 |
Redundancy | 2.5 | 2.1 |
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 |