Table 1.
Data collection and refinement statistics for REC114 (15-159).
| REC114 native | REC114 SeMet | |
|---|---|---|
| Data collection | ||
| Space group | P6122 | P42212 |
| Cell dimensions | ||
| a, b, c (Å) | 107.5, 107.5, 82.8 | 88.5, 88.5, 101.5 |
| α, β, γ (°) | 90, 90, 120 | 90, 90, 90 |
| Resolution (Å) | 93–2.5 (2.57–2.5)a | 66.7–2.7 (2.8–2.7) |
| Rmerge | 5.7 (212.1) | 12.2 (108.8) |
| I/σI | 24.2 (1.11) | 11.1 (1.68) |
| CC1/2 | 1 (0.548) | 0.997 (0.725) |
| Completeness (%) | 99.6 (97.5) | 100 (99.9) |
| Redundancy | 11.2 (11.1) | 7.1 (7.1) |
| Refinement | ||
| Resolution (Å) | 46.6–2.5 | |
| No. reflections | 10,215 | |
| Rwork/Rfree | 25 (30) | |
| B-factors | 77.3 | |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.014 | |
| Bond angles (°) | 1.641 |
a
Values in parentheses are for the highest resolution shell.