Table 1. Diffraction data statistics.
Values in parentheses are for the highest resolution shell.
| Space group | P21212 |
| Unit-cell parameters (Å) | a = 77.6, b = 191.3, c = 90.6 |
| Wavelength (Å) | 1.54182 |
| Resolution range (Å) | 25–3.8 (3.94–3.80) |
| Total observations | 29289 |
| Unique reflections | 11126 (1087) |
| Multiplicity | 2.6 (2.6) |
| Completeness (%) | 80.0 (84.5) |
| Mean I/σ(I) | 4.1 (2.7) |
| Rmeas† | 0.168 (0.299) |
| Rp.i.m.† | 0.075 (0.136) |
R
meas =
and R
p.i.m. =
, where Ii(hkl) is the intensity of the ith measurement of a symmetry-related reflection with indices hkl.