Table 1. Data-collection and processing statistics and crystallographic parameters.
Values in parentheses are for the highest resolution shell.
| Space group | P41 or P43 |
| Unit-cell parameters (Å) | a = b = 75.63, c = 114.9 |
| Wavelength (Å) | 0.95 |
| Resolution (Å) | 75.59–5.00 (5.27–5.00) |
| Observed reflections | 10543 (1529) |
| Unique reflections | 2851 (407) |
| Multiplicity | 3.7 (3.8) |
| Data completeness (%) | 99.9 (100) |
| Rmerge† | 0.235 (0.467) |
| Average I/σ(I) | 2.8 (1.7) |
| Mosaicity (°) | 0.55 |
R
merge =
, where I
i(hkl) is the intensity of the ith observation of reflection hkl, 〈I(hkl)〉 is the weighted average intensity for all observations i of reflection hkl,
is the sum over all reflections and
is the sum over i measurements of reflection hkl.