Table 1. Data collection and refinement statistics.
| Native | SeMet | |
|---|---|---|
| Data collection | ||
| Space group | P3221 | P3221 |
| Cell dimensions | ||
| a, b, c (Å) | 117.6 117.6 254.6 | 117.7 117.7 253.3 |
| α, β, γ (deg) | 90 90 120 | 90 90 120 |
| Wavelength (Å) | 0.9793 | 0.9789 |
| Resolution (Å) | 34.0–1.9 | 35.0–2.8 |
| Outer resolution shell (Å) | 2.0–1.9 | 2.97–2.8 |
| Number of observed reflections/unique | 843 635/160 290 | 554 789/96 552 |
| Completeness (%) (outer shell) | 99.8 (98.6) | 99.6 (98.2) |
| Multiplicity (outer shell) | 5.3 (4.1) | 5.7 (5.7) |
| I/σ (I) (outer shell) | 13.4 (2.2) | 13.4 (4.0) |
| Rmerge (%) (outer shell) | 8.7 (59.5) | 11.1 (37.7) |
| Refinement | ||
| Resolution (Å) | 34.3–1.9 | |
| Reflections (working/test) | 160 181/8044 | |
| R/Rfree (%) | 18.4/22.4 | |
| R.m.s.d. | ||
| Bond lengths (Å) | 0.017 | |
| Bond angles (deg) | 1.557 | |
| B-factors (Å2) | 32.1 | |
| Protein | 31.4 | |
| ADP/Mg2+ | 27.4 | |
| Solvent | 38.6 | |
| Ramachandran statistics (%) | ||
| Most favoured | 97.1 | |
| Allowed | 2.9 |