Table 5. Crystallographic statistics for MicroED data.
Values in parentheses are for the highest resolution shell.
| No. of images | 135 |
| Resolution range (Å) | 30.5–2.50 (2.57–2.50) |
| Space group | P212121 |
| Unit-cell parameters | |
| a (Å) | 42.40 |
| b (Å) | 53.40 |
| c (Å) | 87.76 |
| α = β = γ (°) | 90 |
| Total reflections | 22370 (1668) |
| Multiplicity | 1.95 (1.94) |
| Completeness (%) | 86.0 (87.3) |
| Mean I/σ(I) | 3.23 (1.01) |
| Wilson B factor (Å2) | 35.53 |
| R meas (%) | 24.9 (87.7) |
| CC1/2 (%) | 95.2 (44.8) |
| Unique reflections | 6236 (608) |
| Reflections used in refinement | 6236 (608) |
| Reflections used for R free | 213 (22) |
| R work | 0.1854 |
| R free | 0.2237 |
| No. of non-H atoms | |
| Total | 1280 |
| Macromolecule | 1248 |
| Protein residues | 163 |
| R.m.s.d., bonds (Å) | 0.011 |
| R.m.s.d., angles (°) | 0.754 |
| Ramachandran favored (%) | 96.27 |
| Ramachandran allowed (%) | 3.73 |
| Ramachandran outliers (%) | 0.00 |
| Rotamer outliers (%) | 0.76 |
| Clashscore | 0.41 |
| Average B factor (Å2) | |
| Overall | 30.60 |
| Macromolecule | 30.97 |
| PDB entry | 6u5g |
| Ensemble refinement | |
| R work | 0.2351 |
| R free | 0.2587 |