Table 1. Data collection and refinement statistics for BsKKT2572–668.
| Data collection | BsKKT2 central domain |
|---|---|
| Beamline | Diamond I04 |
| Wavelength (Å) | 1.28297 |
| Space group (Z) | I222 (8) |
| Unit cell (cell edges in Å, cell angles in degrees) | 38.96, 53.51, 83.29, 90, 90, 90 |
| Resolution range (Å) | 45.02–1.8 (1.83–1.8) |
| Total no. of reflections | 37266 (925) |
| No. of unique reflections | 8158 (334) |
| Completeness (%) | 96.96 (77.86) |
| Rmerge | 0.10 (0.52) |
| Rpim | 0.05 (0.33) |
| CC1/2 | 0.99 (0.77) |
| [I/σ(I)] | 8.65 (1.08) |
| Multiplicity | 4.57 (2.77) |
| Anomalous completeness (%) | 89.83 (37.37) |
| Anomalous multiplicity | 2.54 (1.93) |
| Overall B factor from Wilson plot (Å2) | 22.4 |
| Refinement | |
| Resolution (Å) | 35.3–1.8 (2.0–1.8) |
| No. of reflections working set | 7,748 (390) |
| No. of reflections test set | 403 (18) |
| Final Rwork (%) | 19.5 (24.3) |
| Final Rfree (%) | 22.5 (23.4) |
| No. of protein atoms | 770 |
| No. of Zn atoms | 3 |
| No. of water atoms | 94 |
| No. of sulfate ions | 2 |
| Average B factor (Å2) protein atoms | 30.45 |
| Average B factor (Å2) Zn atoms | 25.31 |
| Average B factor (Å2) water atoms | 44.43 |
| RMSD bond lengths (Å) | 0.008 |
| RMSD bond angles (°) | 0.96 |
| Ramachandran plot | |
| Most favored (%) | 97.89 |
| Allowed (%) | 2.11 |
| Disallowed | 0 |
Parentheses indicate the values relative to the highest-resolution shell.