1EAS
NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 3. DESIGN, SYNTHESIS, X-RAY CRYSTALLOGRAPHIC ANALYSIS, AND STRUCTURE-ACTIVITY RELATIONSHIPS FOR A SERIES OF ORALLY ACTIVE 3-AMINO-6-PHENYLPYRIDIN-2-ONE TRIFLUOROMETHYL KETONES
Experimental procedure
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.950, 57.730, 75.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.800 |
| R-factor | 0.183 |
| Rwork | 0.183 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.620 |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | |
| Number of reflections | 19195 |
| Completeness [%] | 88.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * |
