Table 1. X-ray data collection and refinement statistics for PcrA-sCt.
| Hg | Native | |
|---|---|---|
| Data collection statistics | ||
| Wavelength (Å) | 1.54 | 1.54 |
| Space group | P3221 | P3221 |
| Cell dimensions (a, b, c) (Å) | 50.4, 50.4, 40.4 | 50.5, 50.5, 40.2 |
| Resolution (Å) | 50–1.7 (1.8–1.7)a | 50–1.5 (1.6–1.5)a |
| Observed/unique reflections | 41 952/6980 | 92 776/9252 |
| Data redundancy | 6.0 (3.0) | 10.0 (5.1) |
| Completeness (%) | 99.3 (98.7) | 99.9 (98.9) |
| Rsym (%) | 7.5 (15.8) | 3.4 (18.5) |
| I/σ(I) | 33.6 (8.1) | 61.6 (7.7) |
| Refinement statistics | ||
| Resolution range (Å) | 30.0–1.5 | |
| Reflections (work/test) | 9167/438 | |
| Rwork/Rfree (%) | 19.5/22.2 | |
| Number of atoms (protein/water) | 407/65 | |
| Average B-factor (protein/solvent) (Å2) | 15.2/25.5 | |
| RMSD in bond length (Å)/bond angle (°) | 0.007/1.193 | |
aValues in parentheses refer to the highest resolution shell.