Table 1. Data-collection and processing statistics.
Values in parentheses refer to the highest resolution shell.
| Type 1 | Type 2 | |
|---|---|---|
| Wavelength (Å) | 0.979 | 0.979 |
| Space group | R32 | I222 |
| Unit-cell parameters | ||
| a (Å) | 128.92 | 133.35 |
| b (Å) | 128.92 | 155.39 |
| c (Å) | 175.30 | 168.84 |
| Molecules per AU | 2 | 6 |
| Matthews coefficient (Å3 Da−1) | 2.25 | 2.33 |
| Solvent content (%) | 45 | 47 |
| Resolution range (Å) | 41–1.6 (1.66–1.6) | 50–2.0 (2.07–2.00) |
| Total observations | 803467 | 719529 |
| Unique reflections | 73674 | 117205 |
| Average I/σ(I) | 33.6 (2.5) | 18.2 (1.9) |
| Rmerge† (%) | 0.071 (0.713) | 0.082 (0.655) |
| Completeness (%) | 100.0 (100.0) | 99.3 (99.1) |
R
merge =
, where I
h,j is the jth observation of reflection h and 〈I
h〉 is the mean intensity of that reflection.