Table 1. Crystallographic data statistics.
Two 180° sweeps of the same crystal were merged using BLEND (Section 2); the merging statistics should be interpreted accordingly (see Foadi et al., 2013 ▸). Values in parentheses are for the highest resolution bin.
| 2.4 Å resolution data set (PDB entry 7ujx) | 1.63 Å resolution data set (PDB entry 7v0g) | |
|---|---|---|
| Wavelength (Å) | 1.11583 | 1.11583 |
| Resolution (Å) | 49.53–2.40 (2.486–2.400) | 37.93–1.63 (1.688–1.630) |
| Space group | P212121 | P212121 |
| a, b, c (Å) | 58.976, 79.7436, 99.058 | 58.976, 79.7436, 99.058 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 |
| Total reflections | 245582 (25524) | 271228 (26672) |
| Unique reflections | 18878 (1866) | 58660 (5770) |
| Multiplicity | 13.0 (13.7) | 4.6 (4.6) |
| Completeness (%) | 99.94 (100.00) | 99.43 (99.79) |
| Mean I/σ(I) | 15.90 (10.39) | 7.39 (1.27) |
| Wilson B (Å2) | 21.84 | 19.77 |
| R merge | 0.1829 (0.7015) | 0.1056 (1.374) |
| R meas | 0.1905 (0.7294) | 0.1188 (1.548) |
| R p.i.m. | 0.05272 (0.1974) | 0.05338 (0.6996) |
| CC1/2 | 0.993 (0.959) | 0.996 (0.529) |
| CC* | 0.998 (0.989) | 0.999 (0.832) |
| Reflections used in refinement | 18876 (1867) | 58659 (5763) |
| Reflections used for R free | 1888 (187) | 1999 (197) |