TABLE 2.
Data collection and refinement statistics
| Data collection | Pol ι:O6-methylG with dCTP | Pol ι:O6-methylG with dTTP |
| Resolution (Å)a | 2.8 (2.85-2.80) | 1.9 (1.97-1.90) |
| No. of measured reflections | 255,620 | 723,837 |
| No. of unique reflections | 14,304 | 46,192 |
| Completeness (%) | 96.8 (86.7) | 99.8 (98.9) |
| Redundancy | 17.9 (3.8) | 15.7 (8.8) |
| Rmergeb (%) | 17.3 (87.2) | 6.8 (52.5) |
| Mean I/σ | 11.2 (1.1) | 37.9 (3.2) |
| Refinement | ||
| Resolution range (Å) | 80–2.8 | 85–1.9 |
| Reflections | 13,705 | 43,636 |
| Rcrystc (%) | 21.5 | 20.8 |
| Rfreed (%) | 28.3 | 24.1 |
| Root mean square deviation bond lengths (Å) | 0.014 | 0.026 |
| Root mean square deviation bond angles (°) | 1.7 | 2.2 |
| Mean B-factor (Å2) | ||
| Protein | 13.8 | 16.8 |
| DNA | 19.1 | 18.6 |
| H2O | 10.9 | 24.6 |
a Values for outermost shells are given in parentheses.
b Rmerge = Σ|I − 〈I〉|ΣI, where I is the integrated intensity of a given reflection.
c Rcryst = Σ‖Fobserved − Fcalculated‖/Σ|Fobserved|.
d Rfree was calculated using 5% random data omitted from the refinement.