1TNL
PREDICTION OF NOVEL SERINE PROTEASE INHIBITORS
Experimental procedure
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.915, 58.501, 67.590 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.000 - 1.900 |
| R-factor | 0.164 |
| Rwork | 0.164 |
| RMSD bond length | 0.013 * |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | |
| Rmerge | 0.073 * |
| Number of reflections | 57866 |
| Completeness [%] | 92.4 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG8000 | 24-26 (%) | |
| 2 | 1 | reservoir | inhibitor | 0.1 (M) | |
| 3 | 1 | reservoir | ammonium sulfate | 0.2 (M) |
