Table 1.
Data collection and refinement statistics
| Data collection | |
| Temperature, K | 100 |
| Wavelength, Å | 1.08 |
| Space group | P212121 |
| Cell dimensions, Å | a = 34.44, b = 43.18 and c = 72.41 |
| Resolution range, Å | 13.0−1.55 (1.61−1.55) |
| Number of observed reflections | 62,990 |
| Number of unique reflections | 15,570 (1,555) |
| Redundancy | 4.0 |
| I/σI | 9.0 (3.0) |
| Completeness, % | 95.5 (98.0) |
| Rmerge, % | 7.8 (32) |
| Refinement statistics for the final model | |
| Number of atoms | 820 DNA, 1 Ca2+, 271 water molecules |
| R, Rfree (0.0 σ cutoff), % | 20.3, 23.2 |
| R, Rfree (2.0 σ cutoff), % | 19.5, 22.6 |
| rmsd bonds, Å | 0.009 |
| rmsd angles, ° | 1.53 |
| Overall average B factors, Å2 | 17.4, 19.1 (duplex A, B) |
| Phosphate average B factors, Å2 | 22.1, 24.3 |
| Sugar average B factors, Å2 | 18.1, 20.4 |
| Base average B factors, Å2 | 14.7, 15.8 |
Values in parentheses are for the highest-resolution shell.