1TNI
PREDICTION OF NOVEL SERINE PROTEASE INHIBITORS
Experimental procedure
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.847, 58.550, 67.542 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 7.000 - 1.900 |
R-factor | 0.161 |
Rwork | 0.161 |
RMSD bond length | 0.013 * |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | |
High resolution limit [Å] | 1.900 * |
Rmerge | 0.087 * |
Total number of observations | 87997 * |
Completeness [%] | 90.4 |
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) |