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ATOMIC STRUCTURE OF THE TRYPSIN-CYCLOTHEONAMIDE A COMPLEX: LESSONS FOR THE DESIGN OF SERINE PROTEASE INHIBITORS
Experimental procedure
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 71.730, 71.730, 88.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.000 |
| R-factor | 0.169 |
| Rwork | 0.169 |
| R-free | 0.22200 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.400 |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | |
| Number of reflections | 17581 |
| Completeness [%] | 91.8 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 45 (mM) | |
| 3 | 1 | reservoir | PEG4000 | 30 (%) | |
| 4 | 1 | reservoir | sodium citrate | 0.2 (M) | |
| 5 | 1 | reservoir | Tris-HCl | 0.1 (M) |
