Table 1.
| CacOggK222Q/8-oxoG:C | CacOggK222Q/8-oxoG:A | |
|---|---|---|
| Data collection | ||
| Wavelength (Å) | 1.5418 | 0.9765 |
| Resolution (Å)a | 20–1.73 (1.8–1.73) | 20–1.8 (1.9–1.8) |
| Space group | P6522 | P6522 |
| Unit-cell parameters | ||
| a,b,c (Å) | 92.4, 92.4, 191.05 | 92.13, 92.13, 190.73 |
| Total reflection | 688339 (49662) | 899273 (64868) |
| Unique reflection | 48376 (4455) | 41903 (2881) |
| Redundancy | 14.2 (11.1) | 21.5 (22.5) |
| Completeness (%) | 94.7 (79.2) | 92.8 (82.7) |
| I/σ(I) | 32.2 (4.9) | 19.6 (2.9) |
| Rmerge (%) | 5.6 (32.5) | 8.5 (49.0) |
| Refinement | ||
| Rcryst (%) | 19.5 | 18.7 |
| Rfree (%)b | 21.8 | 21.0 |
| Rmsd from ideal bond length (Å)/angles (°) | 0.007/1.2 | 0.005/1.1 |
| Non-hydrogen atoms | ||
| All atoms | 3315 | 3240 |
| Protein | 2454 | 2486 |
| Water | 319 | 242 |
| DNA | 508 | 508 |
| Na+ | 1 | 1 |
| Average B factors (Å2) | 27.3 | 30.5 |
| Ramachandran plot (%) | ||
| Most favored regions | 90.2 | 89.1 |
| Allowed regions | 9.8 | 10.9 |
| Disallowed regions | 0 | 0 |
a
High-resolution shell is shown in parentheses.
b
Rfree was calculated with 5% of the reflections not used in refinement