1IEI
CRYSTAL STRUCTURE OF HUMAN ALDOSE REDUCTASE COMPLEXED WITH THE INHIBITOR ZENARESTAT.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-6B |
Synchrotron site | Photon Factory |
Beamline | BL-6B |
Temperature [K] | 100 |
Detector technology | DIFFRACTOMETER |
Detector | WEISSENBERG |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 |
Unit cell lengths | 40.400, 47.970, 47.660 |
Unit cell angles | 76.20, 76.70, 67.50 |
Refinement procedure
Resolution | 8.000 * - 2.500 |
R-factor | 0.178 * |
Rwork | 0.178 |
R-free | 0.19900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.039 |
RMSD bond angle | 4.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | X-PLOR (98.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 10.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.060 | 0.091 |
Number of reflections | 10355 * | |
<I/σ(I)> | 17.7 | |
Completeness [%] | 94.6 | 83.7 |
Redundancy | 2.2 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | PEG6000, sodium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 14 (mg/ml) | |
2 | 1 | drop | citrate | 50 (mM) | pH5.0 |
3 | 1 | drop | 2-mercaptoethanol | 7 (mM) | |
4 | 1 | drop | zenarestat | 1 (mM) | |
5 | 1 | reservoir | PEG6000 | 20-22.5 (%(w/v)) | |
6 | 1 | reservoir | citrate | 50 (mM) | pH5.0 |