Table 2.
Refinement statistics.
| Refinement | MicroED | SFXa | SFXb |
|---|---|---|---|
| Refinement program | phenix.refine | REFMAC5 | phenix.refine |
| Resolution (Å) | 30.54–3.00 | 30.94–2.30 | 30.93–2.30 |
| No. reflections | 2436 | 6352 | 6687 |
| Rwork/Rfree | 0.223/0.280 | 0.220/0.270 | 0.239/0.281 |
| Mean B-factor (Å2) | 52.01 | 40.00 | 45.60 |
| R.M.S. deviations | |||
| Bond lengths (Å) | 0.005 | 0.002 | 0.001 |
| Bond angles (°) | 0.524 | 1.191 | 0.370 |
| Ramachandran | |||
| Favoured (%) | 97.79 | 98.53 | 99.26 |
| Allowed (%) | 2.21 | 1.47 | 0.74 |
| Outliers (%) | 0.00 | 0.00 | 0.00 |
| Clashscore | 4.38 | 1.70 | 3.94 |
| Rotamer outliers (%) | 0.00 | 0.76 | 0.00 |
aSFX structure refinement using the REFMAC5 refinement programme.
bSFX structure refinement using the MicroED structure refinement protocol.