1Z89
Human Aldose Reductase complexed with novel Sulfonyl-pyridazinone Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-06-14 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.400, 66.900, 47.400 |
Unit cell angles | 90.00, 92.10, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.430 |
R-factor | 0.164 |
Rwork | 0.163 |
R-free | 0.20600 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1el3 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.029 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.450 |
High resolution limit [Å] | 1.430 | 1.430 |
Number of reflections | 55802 | |
<I/σ(I)> | 21.7 | 1.9 |
Completeness [%] | 97.8 | 92.9 |
Redundancy | 2.9 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | ammonium citrate, PEG 6000, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |