Table 1. Data-collection and refinement statistics.
A wavelength of 1.2 was used for data collection. The CCD detector was positioned at a distance of 120mm from the sample. Rotations of 0.5 per image were performed.
| X-ray data | |
| Space group | P3121 |
| Unit-cell parameters () | a = b = 83.097, c = 71.301 |
| Resolution () | 36.02.0 (2.22.0) |
| Independent reflections | 17912 (2010) |
| Multiplicity | 3.9 (3.6) |
| Completeness (%) | 98.0 (90.7) |
| I/(I) | 6.6 (1.8) |
| R merge | 0.221 (0.474) |
| Refinement | |
| Total No. of atoms, including solvent | 2017 |
| Mean B value (2) | 30.6 |
| R cryst (%) | 22.8 |
| R free (%) | 25.0 |
| Ramachandran plot (%) | |
| Most favoured | 87.5 |
| Additionally allowed | 12.5 |
| Generously allowed | 0 |
| R.m.s.d. bond lengths () | 0.023 |
| R.m.s.d. bond angles () | 1.5 |