Table 2.
Crystallographic data, including experimental conditions, unit cell dimensions, data collection, and refinement conditions
| Dataset | C3b-Cp40 |
|---|---|
| Wavelength (Å) | 0.9677 |
| Resolution rangea (Å) | 47.8–2.0 (2.07–2.0) |
| Space group | P 1 21 1 |
| Unit cell (a, b, c, α, β, γ) | 101.5 90.5 140.1 90 108.8 90 |
| Unique reflections | 159,011 (15,635) |
| Completeness (%) | 98.1 (97.0) |
| Mean I/sigma(I) | 9.4 (0.94) |
| Wilson B-factor (Å2) | 38.8 |
| R-merge | 0.094 |
| R-meas | 0.108 |
| R-pim | 0.052 |
| R-work | 0.191 (0.355) |
| R-free | 0.223 (0.364) |
| Number of non-hydrogen atoms | 13,423 |
| macromolecules | 12,409 |
| ligands | 83 |
| water | 931 |
| Protein residues | 1,570 |
| RMS bonds (Å) | 0.007 |
| RMS angles (°) | 0.93 |
| Ramachandran favored (%) | 97.6 |
| Ramachandran allowed (%) | 22 |
| Ramachandran outliers (%) | 0.3 |
| Clash score | 6.0 |
| Average B-factor (Å2) | 58.1 |
| macromolecules | 58.4 |
| ligands | 72.1 |
| solvent | 52.6 |
aNumbers in parentheses are statistics corresponding to the highest resolution shell.