TABLE 4.
Crystallographic refinement statistics
| Langerin CRD + Me-GlcNAc | Langerin CRD + TR54 | Langerin CRD-I313 + Me-GlcNAc | Langerin CRD-I313 + TR54 | Langerin CRD-D288/I131 + Me-GlcNAc | Langerin CRD-D288/I131 + Me-Man | Langerin CRD-D288/I131 + TR55 | |
|---|---|---|---|---|---|---|---|
| Number of reflections used for refinement | 53,793 | 44,431 | 53,381 | 45,546 | 44,894 | 36,132 | 35,498 |
| Reflections marked for Rfree | 2887 | 2366 | 2858 | 2438 | 2407 | 1908 | 1876 |
| Rfreea | 23.3 | 21.8 | 22.8 | 21.2 | 21.4 | 24.6 | 23.3 |
| Rcrysta | 18.0 | 17.3 | 17.6 | 16.6 | 17.0 | 18.9 | 18.1 |
| Average B factor (Å2) | 25.2 | 23.3 | 22.2 | 22.5 | 21.7 | 23.0 | 28.2 |
| Bond length r.m.s.d.b (Å) | 0.007 | 0.008 | 0.007 | 0.007 | 0.007 | 0.006 | 0.008 |
| Angle r.m.s.d.b (°) | 1.1 | 1.1 | 1.1 | 1.1 | 1.1 | 0.94 | 1.1 |
| Ramachandran plot: (% in each region)c | |||||||
| Preferred | 96.0 | 96.2 | 95.8 | 95.8 | 95.4 | 96.0 | 95.0 |
| Allowed | 4.0 | 3.8 | 4.2 | 4.2 | 4.6 | 3.8 | 5.0 |
| Outliers | 0 | 0 | 0 | 0 | 0.0 | 0.2 | 0.0 |
a R and Rfree = Σ ‖Fo| − |Fc‖/Σ|Fo|, where |Fo| = observed structure factor amplitude and |Fc| = calculated structure factor amplitude for the working and test sets, respectively.
b r.m.s.d., root mean square deviation.
c As defined in Coot.