Table 1.
MicroED data collection and refinement statistics
| Drug-free CTD-SP1* | CTD-SP1-BVM† | |
| Data collection | ||
| Space group | C121 | C121 |
| Cell dimensions | ||
| a, b, c, Å | 70.6, 122.5, 78.7 | 71.4, 123.0, 81.8 |
| α, β, γ, ° | 90.0, 90.0, 96.5 | 90.0, 90.0, 95.0 |
| Resolution, Å | 27.5–3.0 (3.2–3.0) | 27.4–2.9 (3.1–2.9) |
| Rpim | 0.255 (1.324) | 0.180 (0.860) |
| <I/σI> | 3.0 (0.7) | 3.7 (1.1) |
| CC1/2 | 0.90 (0.35) | 0.96 (0.10) |
| Completeness, % | 79.8 (78.7) | 83.4 (82.3) |
| Redundancy | 5.7 (5.7) | 7.5 (7.5) |
| Refinement | ||
| Resolution, Å | 19.9–3.0 (3.2–3.0) | 19.9–2.9 (3.0–2.9) |
| No. reflections | 10,480 (1,006) | 11,635 (1,137) |
| Rwork/Rfree | 0.254/0.292 | 0.236/0.280 |
| No. protein atoms | 7,410 | 7,814 |
| ADP, Å2 | ||
| Mean | 41.1 | 52.6 |
| Minimum/maximum | 6.8/177.9 | 19.2/160.5 |
| rms deviations | ||
| Bond lengths, Å | 0.003 | 0.002 |
| Bond angles, ° | 0.561 | 0.474 |
| MolProbity clashscore | 1.48 | 0.38 |
Values in parentheses are for the highest-resolution shell.
*
Data from six crystals.
†
Data from five crystals.