Table 1. Data collection and refinement statistics for chymase/TJK002.
Values in parentheses are for the highest-resolution shell.
| Space group | P43212 |
| Unit-cell parameters (Å) | |
| a | 56.9 |
| b | 56.9 |
| c | 177.5 |
| Data collection | |
| Beamline | NW12 (PF) |
| Wavelength (Å) | 1.0000 |
| Resolution (Å) | 50.0–2.80 |
| Total number of reflections | 211779 |
| Unique reflections | 27558 |
| R merge | 0.068 (0.422) |
| Completeness (%) | 100.0 (100.0) |
| Multiplicity | 15.2 (13.9) |
| I/σ(I) | 40.7 (5.05) |
| Refinement statistics | |
| Resolution (Å) | 41.0–2.80 |
| R factor (%) | 24.2 |
| R free (%) | 33.0 |
| RMS deviation from ideal values | |
| Bond length (Å) | 0.012 |
| Bond angle (°) | 1.70 |
R merge = ΣΣi|I i − 〈I〉|/Σ〈I〉, where 〈I〉 is the mean intensity of N reflections with intensities I i and common indices h, k and l. R factor = Σhkl||F obs| − k|F calc||/Σhkl|F obs|, where F obs and F calc are the observed and calculated structure factors, R free is calculated for a randomly chosen 5% of reflections and R factor is calculated for the remaining 95% of reflections.