Table 1. Data collection and refinement statistics.
| BrU3, BrU8 | Native | |
|---|---|---|
| Data collection | ||
| Space group | P6222 | P6222 |
| Cell dimensions | ||
| a, b, c (Å) | 26.4, 26.4,166.5 | 25.3 25.3 167.8 |
| α, β, γ (°) | 90, 90,120 | 90, 90, 120 |
| Resolution (Å) | 55.0–2.03 (2.14–2.03) | 50.00–2.07(2.2–2.07) |
| Rmerge | 0.063 (0.196) | 0.076 (0.35) |
| I / σI | 2.93 (3.6) | 2.2 (1.8) |
| Completeness (%) | 99.9 (99.9) | 99.8 (99.8) |
| Redundancy | 9.5 (9.8) | 7.7 (8.2) |
| Wavelength (Å) | 0.9194 | 0.9720 |
| Phasing | ||
| Atom/Sites | Br/2 | |
| FOM | 0.38 | |
| FOM, DM | 0.57 | |
| Refinement | ||
| Resolution (Å) | 55.0–2.1 (2.17–2.10) | 50–2.3 (2.3–2.36) |
| No. reflections | 3805 (344) | 3195 (189) |
| Rwork / Rfree | 0.23(0.25)/0.23 (0.28) | 0.30 (0.32) /0.30 (0.44) |
| No. atoms | ||
| DNA | 207 | 199 |
| Water | 25 | 0 |
| B-factors | ||
| DNA | 31.28 | 49.51 |
| Water | 28.90 | N/A |
| R.m.s deviations | ||
| Bond lengths (Å) | 0.007 | 0.009 |
| Bond angles (°) | 1.659 | 1.524 |
*Values in parentheses are for highest-resolution shell.