1TNJ
PREDICTION OF NOVEL SERINE PROTEASE INHIBITORS
Experimental procedure
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.919, 58.526, 67.535 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 7.000 - 1.800 |
R-factor | 0.17 |
Rwork | 0.170 |
RMSD bond length | 0.014 * |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | |
High resolution limit [Å] | 1.800 * |
Rmerge | 0.075 * |
Total number of observations | 115203 * |
Completeness [%] | 90.5 |
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) |