2HVO
Human Aldose Reductase-zopolrestat complex obtained by cocrystallisation (10days_cocryst)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-09-28 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.450, 67.220, 47.330 |
Unit cell angles | 90.00, 92.82, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.650 |
R-factor | 0.155 |
Rwork | 0.153 |
R-free | 0.21700 |
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] | 40.000 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.053 | 0.402 |
Number of reflections | 35822 | |
<I/σ(I)> | 16.8 | 2.3 |
Completeness [%] | 96.5 | 95.1 |
Redundancy | 2.2 | 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 |