Table 2. Refinement details.
| Proteinase K with B3C | Proteinase K with I3C | |
|---|---|---|
| PDB code | 3gt3 | 3gt4 |
| Data set used for refinement | Peak2 | |
| Resolution () | 48.01.50 | 47.91.76 |
| No. of reflections | 38826 | 22770 |
| R cryst/R free (%) | 14.3/18.4 | 14.0/19.1 |
| No. of protein atoms | 2045 | 2001 |
| No. of ligand/ions atoms | 74 | 53 |
| No. of water atoms | 417 | 343 |
| B factors (2) | ||
| Protein | 11.04 | 7.91 |
| Ligands | 15.77 | 15.80 |
| Waters | 28.32 | 22.70 |
| R.m.s. deviations | ||
| Bond lengths () | 0.009 | 0.007 |
| Angle distances () | 0.024 | 0.023 |
| Ramachandran plot | ||
| Favoured (%) | 97.8 | 97.8 |
| Disallowed (%) | 0 | 0 |