Table 3. Refinement statistics.
| Primary focus (nanofocus) | Refocused beam | |
|---|---|---|
| PDB entry | 4rw1 | 4rw2 |
| Cutoff | None | None |
| No. of reflections, working set | 9531 | 5451 |
| No. of reflections, test set | 517 | 291 |
| Final R cryst | 0.219 | 0.204 |
| Final R free | 0.256 | 0.251 |
| Cruickshank DPI | 0.191 | 0.443 |
| No. of non-H atoms | ||
| Protein | 1006 | 1011 |
| Ion | 1 Na+, 1 Cl | 1 Na+, 1 Cl |
| Water | 63 | 44 |
| Total | 1071 | 1055 |
| R.m.s. deviations | ||
| Bonds () | 0.008 | 0.007 |
| Angles () | 1.023 | 0.968 |
| Average B factors (2) | ||
| Protein | 30.1 | 45.2 |
| Ion | 34.1 | 49.8 |
| Water | 39.8 | 48.2 |
| Ramachandran plot | ||
| Most favoured (%) | 98.4 | 96.8 |
| Allowed (%) | 1.6 | 3.2 |