TABLE 1.
Diffraction data and refinement statistics
| Space group | C2 |
|---|---|
| Unit cell | |
| a, b, c (Å) | 96.6, 113.2, 55.4 |
| α, β, γ (°) | 90, 114.8, 90 |
| Resolution (Å) | 24.94–2.097 (2.172–2.097)a |
| Total reflections | 238,084 (23,266) |
| Unique reflections | 31,627 (2,878) |
| Multiplicity | 7.5 (7.4) |
| Completeness (%) | 97 (100) |
| 〈I〉/σ(I) | 15.99 (2.86) |
| Wilson B-factor | 29.59 |
| Rmerge (%) | 8.1 (54.4) |
| Rmeas (%) | 8.7 (58.5) |
| Reflections used in refinement | 30,547 (2878) |
| Reflections used for Rfree | 1,935 (185) |
| Rwork (%) | 16.98 (21.24) |
| Rfree (%) | 20.55 (24.33) |
| Number of non-hydrogen atoms | 3088 |
| Room mean square (bonds) | 0.008 |
| Room mean square (angles) | 1.11 |
| Ramachandran favored (%) | 98 |
| Ramachandran allowed (%) | 1.5 |
| Ramachandran outliers (%) | 0 |
| Average B-factor (Å2) | 39.55 |
| Average B-factor protein atoms (Å2) | 39.26 |
| Average B-factor solvent (Å2) | 42.48 |
a Values within parentheses refer to the highest resolution shell.