Table 2.
Crystal data, data collection parameters, and structure refinement statisticsa
| Complex | 1,N2-ε-G:dAMPnPP | 1,N2-ε-G:dCMPnPP |
|---|---|---|
| Data Collection | ||
| Wavelength [Å] | 0.97856 | 0.97856 |
| Space group | P61 | P61 |
| Resolution [Å] | 50.0–2.59 (2.63–2.59)a | 42.9–2.23 (2.29–2.23)a |
| Unit cell a, b, c [Å] | 99.11, 99.11, 81.86 | 99.08, 99.08, 81.89 |
| Unique reflections | 14,272 (713) | 22,384 (1659) |
| Completeness [%] | 99.7 (100) | 100 (100) |
| I/σ(I) | 12.0 (1.8) | 16.6 (2.9) |
| Wilson B-factor [Å2] | 22.1 | 26.9 |
| R-merge | 0.152 (0.910) | 0.093 (0.625) |
| Redundancy | 5.7 (5.7) | 5.7 (5.7) |
| Refinement | ||
| R-work | 0.191 (0.235) | 0.158 (0.193) |
| R-free | 0.248 (0.301) | 0.210 (0.280) |
| Number of atoms | ||
| Protein/DNA | 3426/391 | 3394/391 |
| dNTP/Water/Mg2+ | 30/163/2 | 28/273/2 |
| Protein residues | 431 | 430 |
| B-factor [Å2] | ||
| Average | 38.6 | 33.5 |
| Protein/DNA | 37.8/45.9 | 32.6/37.5 |
| dNTP/M2+/Water | 41.3/33.4/38.7 | 34.4/26.5/38.5 |
| R.m.s. deviations | ||
| Bonds [Å] | 0.003 | 0.008 |
| Angles [deg.] | 0.6 | 1.0 |
| Ramachandran | ||
| Favored (%) | 96.8 | 97.0 |
| Allowed (%) | 3.0 | 2.8 |
| Outliers (%) | 0.2 | 0.2 |
| PDB ID Code | 5F9I | 5F9N |
a
Statistics for the highest-resolution shell are shown in parentheses.