Table 1. Data-collection statistics.
Space group | I222 |
Unit-cell parameters (Å) | a = 109.9, b = 136.7, c = 192.0 |
Wavelength (Å) | 0.98 |
Resolution (Å) | 50–2.60 (2.64–2.60) |
Measured reflections | 373906 |
Unique reflections | 42206 |
R merge † | 0.063 (0.333) |
〈I/σ(I)〉 | 50.5 (5.0) |
Completeness (%) | 99.7 (99.5) |
Multiplicity | 8.9 (7.0) |
R merge = , where I i(hkl) is the observed intensity and 〈I(hkl)〉 is the average intensity over symmetry-equivalent measurements.