2GYI
DESIGN, SYNTHESIS, AND CHARACTERIZATION OF A POTENT XYLOSE ISOMERASE INHIBITOR, D-THREONOHYDROXAMIC ACID, AND HIGH-RESOLUTION X-RAY CRYSTALLOGRAPHIC STRUCTURE OF THE ENZYME-INHIBITOR COMPLEX
Replaces: 1GYIExperimental procedure
Spacegroup name | P 21 21 2 |
Unit cell lengths | 86.900, 99.050, 93.650 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.600 |
R-factor | 0.216 |
Rwork | 0.216 |
RMSD bond length | 0.016 |
RMSD bond angle | 23.000 * |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 44.720 * |
High resolution limit [Å] | 1.600 * |
Rmerge | 0.051 * |
Total number of observations | 190809 * |
Number of reflections | 83616 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 7.5 * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | enzyme | 43 (mg/ml) | |
2 | 1 | drop | PIPES | 0.025 (M) | |
3 | 1 | drop | 0.010 (M) | ||
4 | 1 | drop | 0.001 (M) | ||
5 | 1 | reservoir | ammonium sulfate | 45 (%sat) |