Table 1.
Statistics of microED data collection and atomic refinement
r.m.s., root mean square; Avg., average.
| VGSNKGAIIGL | |
|---|---|
| Data collection | |
| 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 |
| No. crystals used | 5 |
| Total angular rotation collected (°) | 383 |
| Merging statistics | |
| Space group | P21 |
| Cell dimensions | |
| a, b, c (Å) | 18.78, 4.73, 33.47 |
| α, β, γ (°) | 90, 100.02, 90 |
| Resolution (Å) | 20–1.5 (1.58–1.50)a |
| Rmerge (%) | 22.0 (30.6) |
| No. reflections | 5586 (555) |
| Unique reflections | 1032 (133) |
| Completeness (%) | 91.8 (76.4 ) |
| Multiplicity | 5.4 (4.2) |
| I/σ | 5.19 (3.11) |
| CC1/2 (%) | 98.7 (90.8) |
| Refinement statistics | |
| No. reflections | 1031 |
| Reflections in test set | 103 |
| Rwork (%) | 22.7 |
| Rfree (%) | 29.5 |
| r.m.s. deviations | |
| Bond lengths (Å) | 0.015 |
| Bond angles (°) | 1.879 |
| Avg. B factor (Å2) | |
| Protein | 11.56 |
| Water | 14.60 |
| Wilson B factor (Å2) | 7.24 |
| Ramachandran (%) | |
| Favored | 88.9 |
| Allowed | 11.1 |
| Outliers | 0 |
a Highest resolution shell shown in parentheses.