2HVN
Human Aldose Reductase-zopolrestat complex obtained by cocrystallisation after one day (1day_cocryst)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-09-19 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.388, 66.933, 47.209 |
Unit cell angles | 90.00, 93.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.580 |
R-factor | 0.165 |
Rwork | 0.163 |
R-free | 0.20800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdb enty 1el3 |
RMSD bond length | 0.008 |
RMSD bond angle | 2.200 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELX |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.610 |
High resolution limit [Å] | 1.580 | 1.580 |
Rmerge | 0.094 | 0.402 |
Number of reflections | 38031 | |
<I/σ(I)> | 20.4 | 3.6 |
Completeness [%] | 90.1 | 53.8 |
Redundancy | 3.7 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | PEG 6000 25%, 120mM cirtrate buffer, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |