Table 1. X-ray diffraction data-collection and processing statistics.
Values in parentheses are for the highest resolution shell. Data were processed using the HKL suite (Otwinowski & Minor, 1997 ▶).
| Unit-cell parameters (Å) | a = 39.7, b = 53.2, c = 89.2 |
| Space group | C2221 |
| Resolution (Å) | 50–1.60 (1.66–1.60) |
| Unique reflections | 12806 (1249) |
| Completeness (%) | 99.2 (97.8) |
| Rmerge† (%) | 3.3 (16.5) |
| Radiation source | Synchrotron (MX1 station, LNLS) |
| Data-collection temperature (K) | 100 |
| 〈I/σ(I)〉 | 45.3 (7.7) |
| Multiplicity | 5.7 (5.3) |
| Matthews coefficient VM (Å3 Da−1) | 1.75 |
| Molecules in asymmetric unit | 1 |
| Solvent content (%) | 29.7 |
†
R
merge = 
, where Ii(hkl) is the intensity of an individual measurement of the reflection with Miller indices hkl and 〈I(hkl)〉 is the mean intensity of that reflection. It was calculated for reflections with I > −3σ(I).