Table 1. X-ray diffraction data and processing statistics.
Values in parentheses are for the highest resolution shell.
| Space group | C2221 |
| Unit-cell parameters (Å) | a = 54.7, b = 72.4, c = 102.2 |
| Resolution range (Å) | 50.00–2.30 (2.36–2.30) |
| Total No. of reflections | 92739 |
| No. of unique reflections | 12376 |
| Average redundancy | 7.5 (7.2) |
| Completeness (%) | 99.8 (98.3) |
| Rmerge† (%) | 7.0 (30.0) |
| Average I/σ(I) | 35.8 (8.9) |
R
merge =
, where I
i(hkl) is the observed intensity and 〈I(hkl)〉 is the average intensity from multiple measurements.