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 = 49.4, b = 67.0, c = 85.5 |
| Space group | P212121 |
| Resolution (Å) | 40.0–1.80 (1.89–1.80) |
| Unique reflections | 25698 (3766) |
| Completeness (%) | 95.0 (98.8) |
| Rmerge† (%) | 6.9 (37.3) |
| Radiation source | Synchrotron (MX2 station, LNLS) |
| Data-collection temperature (K) | 100 |
| Average I/σ(I) | 18.7 (2.6) |
| Redundancy | 4.0 (3.7) |
| Matthews coefficient VM (Å3 Da−1) | 2.6 |
| Molecules in the asymmetric unit | 2 |
| Solvent content (%) | 53.1 |
†
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. Calculated for I > −3σ(I).