Table 3.
Crystallographic Data Collection and Refinement Statistics
| Parameter | Value |
|---|---|
| Resolution (Å) | 48.75–3.00 (3.06–3.00) |
| Space group | P1 21 1 |
| Unit cell | |
| a, b, c (Å) | 59.5, 85.60, 122.6 |
| α, β, γ (°) | 90.0, 94.7, 90.0 |
| Total reflections | 195,091 |
| Unique reflectionsa | 47,924 |
| Rfree test set multiplicity | 1257 |
| 4.1 (1.9) | |
| Completeness (%) | 99.5 (99.9) |
| I/σ(I) | 5.3 (2.27) |
| Rwork | 0.175 (0.253) |
| Rfree | 0.229 (0.286) |
| RMSD (bond lengths) (Å) | 0.013 |
| RMSD (angles) (°) | 1.16 |
| Ramachandran favored (%) | 98.04 |
| Ramachandran allowed (%) | 1.83 |
| Ramachandran outliers (%) | 0.13 |
| Average B factor (Å2) | 55 |
Values in parentheses are for the highest- resolution shell.
a
Friedel’s pairs unmerged.