Table 1. Statistics of MicroED data collection and atomic refinement.
| KLVFFAENVGS | |
|---|---|
| Excitation Voltage (kV) | 200 |
| Electron Source | field emission gun |
| Wavelength (Å) | 0.0251 |
| Total dose per crystal (e-/ Å2) | 2.7 |
| Frame rate (frame/s) | 0.3–0.5 |
| Rotation rate (°/s) | 0.3 |
| #crystals used | 13 |
| Total angular rotation collected (°) | 941 |
| Merging Statistics | |
| Space group | P21 |
| Cell dimensions | |
| a, b, c (Å) | 11.67, 51.91, 12.76 |
| α, β, γ (°) | 90, 114.18, 90 |
| Resolution (Å) | 11.64–1.4 (1.44–1.40)* |
| Rmerge | 24.0% (65.2%) |
| No. Reflections | 47,598 (1966) |
| Unique Reflections | 2355 (163) |
| Completeness (%) | 86.2% (78.0%) |
| Multiplicity | 21 (12) |
| I/σ | 9.06 (2.88) |
| CC1/2 | 99.5% (69.7%) |
| Refinement Statistics | |
| No. reflections | 2354 |
| Reflections in test set | 236 |
| Rwork | 23.7% |
| Rfree | 28.3% |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.014 |
| Bond angles (°) | 1.5 |
| Avg. B factor (Å2) | 9.46 |
| Wilson B factor (Å2) | 7.2 |
| Ramachandran (%) | |
| Favored | 100% |
| Allowed | 0% |
| Outliers | 0 |
*Highest resolution shell shown in parenthesis.