Table 4. Structure solution and refinement for crystal form A .
Values in parentheses are for the outer shell.
Resolution range (Å) | 47.254–2.650 (2.719–2.650) |
Completeness (%) | 97.6 |
σ Cutoff | None |
No. of reflections, working set | 45487 (3350) |
No. of reflections, test set | 2294 (182) |
Final R work | 0.238 (0.455) |
Final R free | 0.298 (0.484) |
ESU based on maximum likelihood (Å) | 0.509 |
No. of non-H atoms | |
Protein | 11407 |
Glycosylation | 244 |
Water | 303 |
Formate | 6 |
R.m.s. deviations | |
Bond lengths (Å) | 0.006 |
Angles (°) | 1.448 |
Average B factors (Å2) | |
Protein | 62.8 |
Glycosylation | 116.8 |
Water | 37.2 |
Formate | 67.1 |
Ramachandran plot† | |
Favoured (%) | 94.1 |
Outliers (%) | 0.0 |
MolProbity score† | 2.08 |
Calculated using MolProbity (https://molprobity.biochem.duke.edu/; Williams et al., 2018 ▸).