2ACQ
AN ANION BINDING SITE IN HUMAN ALDOSE REDUCTASE: MECHANISTIC IMPLICATIONS FOR THE BINDING OF CITRATE, CACODYLATE, AND GLUCOSE-6-PHOSPHATE
Experimental procedure
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.940, 67.170, 91.360 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 * - 1.760 |
R-factor | 0.166 |
Rwork | 0.166 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.400 |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 9999.000 * | |
High resolution limit [Å] | 1.760 * | 1.800 * |
Rmerge | 0.050 * | |
Total number of observations | 63370 * | |
Number of reflections | 20854 * | |
Completeness [%] | 56.8 * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 14 (mg/ml) | |
2 | 1 | drop | citrate | 25 (mM) | |
3 | 1 | drop | beta-mercaptoethanol | 7 (mM) | |
4 | 1 | reservoir | PEG6000 | 20 (%) | |
5 | 1 | reservoir | citrate | 50 (mM) |