TABLE 2.
Crystallographic refinement statistics
| Data | BDCA-2 with α-methyl mannoside | BDCA-2 with Galβ1–4GlcNAcβ1–2Man |
|---|---|---|
| Number of reflections used for refinement | 38083 | 7062 |
| Reflections marked for Rfree | 1,905 | 354 |
| Rfreea | 21.4 | 26.3 |
| Rcrysta | 17.3 | 17.8 |
| B factors (Å2) | ||
| Average | 26.0 | 32.1 |
| Protein | 24.7 | 32.1 |
| Ca2+ | 21.6 | 22.0 |
| Sugars | 26.5 | 31.8 |
| Waters | 34.0 | |
| Bond length root mean square deviation (Å) | 0.011 | 0.013 |
| Angle root mean square deviation (°) | 1.03 | 1.18 |
| Ramachandran plot: (% in each region)b (preferred/allowed/outliers) | 93.5/5.4/1.1 | 89.3/8.3/2.4 |
a R and Rfree = 100 × Σh|Fo(h) − Fc(h)|/ΣhFo(h), where Fo(h) = observed structure factor amplitude, and Fc(h) = calculated structure factor amplitude for the working and test sets, respectively.
b As defined in Coot.