Table 3.
Statistics of X-ray diffraction data collection and structure refinement
| β-matriptase-N164Q:benzamidine | β-matriptase-N164Q:SFTI-1 | |
|---|---|---|
| Diffraction data | ||
| Space group | C222 | P41212 |
| Cell parameters (Å) | 66.9, 141.7, 52.0 | 75.9, 75.9, 94.1 |
| Rmerge (%)a | 0.1 (0.5)a | 0.1 (0.5)a |
| Completeness (%) | 91.6 (94.6)a | 98.9 (100.0)a |
| Average I/σ | 18.3 (1.5)a | 38.5 (3.0)a |
| Data redundancy | 5.7 (2.9)a | 12.1 (11.1)a |
| Refinement | ||
| Resolution (Å) | 70.9-1.2 | 25.8-2.0 |
| Rwork/Rfree (%) | 17.8/19.9 | 19.4/24.5 |
| RMSD | ||
| Bond length (Å) | 0.006 | 0.003 |
| Bond angles (°) | 1.20 | 0.70 |
| Mean B factors (Å2) | 12.5 | 50.7 |
| Ramachandran plot, % residues in regions: | ||
| Most favored | 97.5 | 96.4 |
| Additionally allowed | 2.5 | 3.6 |
| Generously allowed | 0 | 0 |
| Disallowed | 0 | 0 |
| PDB ID Code | 3P8G | 3P8F |
aNumbers in the parentheses are for the highest resolution shell.