Table 3.
Data collection and refinement statistics.
| Complex | 2′dCTP | 3′dCTP |
|---|---|---|
| PDB code | 6WOX | 6WOY |
| Data collection | ||
| Space group | C2 | C2 |
| Cell dimensions | ||
| a (Å) | 185.44 | 185.98 |
| b (Å) | 102.65 | 102.47 |
| c (Å) | 295.38 | 296.04 |
| β (°) | 98.91 | 98.87 |
| Resolution (Å) | 30–3.14 | 30–3.00 |
| Total reflections | 275,994 | 361,353 |
| Unique reflections | 89,931 | 106,804 |
| Redundancy | 3.1 (2.5) | 3.4 (2.9) |
| Completeness (%) | 94.3 (68.6) | 96.9 (73.6) |
| I / σ | 10.06 (1.44) | 14.78 (1.73) |
| Rmerge | 0.129 (0.521) | 0.086 (0.553) |
| CC1/2 | 0.985 (0.829) | 0.991 (0.855) |
| Refinement | ||
| Resolution (Å) | 30–3.14 | 30–3.00 |
| Rwork | 0.196 | 0.206 |
| Rfree | 0.261 | 0.219 |
| No. of atoms | 28,569 | 28,569 |
| R.m.s. deviations | ||
| Bond length (Å) | 0.010 | 0.009 |
| Bond angles (°) | 1.22 | 1.12 |
| Clashscore | 15.04 | 13.19 |
| Ramachandran favored, % | 85.68 | 86.95 |
| Ramachandran outliers, % | 0.37 | 0.37 |
Data sets were collected at MacCHESS F1 line, Ithaca, NY.
Highest resolution shells are shown in parentheses.