TABLE 3.
Collection and refinement statistics
| Data collection | DNA pol ι:N2-ethyl-Gua with dCTP | DNA pol ι:N2-ethyl-Gua with dTTP |
|---|---|---|
| Resolution (Å)a | 2.2 (2.28-2.2) | 2.9 (3.0-2.9) |
| No. of measured reflections | 529,938 | 368,190 |
| No. of unique reflections | 19,625 | 13,417 |
| Completeness (%) | 98.9 (90.6) | 100 (100) |
| Redundancy | 17.7 (11.7) | 27.4 (26.3) |
| Rmerge (%)b | 12.2 (40) | 14.4 (32.3) |
| Mean I/σ | 13 (5.1) | 11.8 (4.0) |
| Refinement | ||
| Resolution range (Å) | 15–2.5 | 15–2.9 |
| Reflections | 19,625 | 12,753 |
| Rcryst (%)c | 23.2 | 23.8 |
| Rfree (%)d | 28.6 | 28.2 |
| Root mean square deviation bond lengths (Å) | 0.019 | 0.010 |
| Root mean square deviation bond angles (°) | 1.8 | 1.5 |
| Mean B-factor (Å2) | ||
| Protein | 34.5 | 14.9 |
| DNA | 35.8 | 15.0 |
| H2O | 32.9 | 13.9 |
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