Table 3. Structure solution and refinement.
Values in parentheses are for the outer shell.
| Chom-18Br | Chom-18 | Hpar-18 | |
|---|---|---|---|
| No. of reflections, working set | 2259 | 1790 | 1629 |
| No. of reflections, test set | 108 | 95 | 94 |
| Final R work | 0.239 | 0.242 | 0.264 |
| Final R free | 0.292 | 0.279 | 0.312 |
| Final R all | 0.239 | 0.250 | 0.272 |
| No. of non-H atoms | |||
| DNA | 365 | 365 | 365 |
| Ion | 2 | 3 | 2 |
| Total | 367 | 368 | 367 |
| R.m.s. deviations | |||
| Bonds (Å) | 0.010 | 0.011 | 0.010 |
| Angles (°) | 1.21 | 1.09 | 1.02 |
| Average B factors (Å2) | 120 | 108 | 122 |
| NtC analysis | |||
| Assigned | 15 | 15 | 14 |
| Outliers | 2 | 2 | 3 |
| PDB code | 6ror | 6ros | 6rou |