Table 1. Crystallographic data and refinement statistics of the HNE with 1/2SLPI complex.
Values in parentheses are for the outer shell (1.741.70).
| Data collection | |
| Space group | P42212 |
| Cell dimensions () | a = b = 106.64, c = 55.12 |
| Resolution () | 38.321.70 (1.741.70) |
| Total observations | 419005 |
| No. of unique reflections | 35374 |
| Redundancy | 11.84 (11.96) |
| Completeness (%) | 99.5 (99.6) |
| I/(I) | 18.5 (7.9) |
| R merge (%) | 6.4 (27.2) |
| Ramachandran plot | |
| Core angles (%) | 89.6 |
| Additional allowed angles (%) | 9.5 |
| Generous allowed angles (%) | 0.9 |
| Disallowed angles (%) | 0 |
| Refinement statistics | |
| Completeness for range (%) | 99.45 |
| Reflections used for refinement | 33575 |
| Reflections used for R free calculations | 1770 (5%) |
| Crystallographic R (%) | 20.3 |
| R free (%) | 23.1 |
| No. of protein atoms/average B-factor (2) | 1636/18.7 |
| No. of inhibitor atoms/average B-factor (2) | 374/24.5 |
| No. of sugar atoms/average B-factor (2) | 48/25.9 |
| RMS deviations from ideal geometry | |
| Bond distances () | 0.011 |
| Bond angles () | 1.268 |