Table 1. Data-collection statistics for the SoInv crystal.
Values in parentheses are for the highest resolution shell.
| Wavelength (Å) | 0.9334 |
| Source | ESRF |
| Beamline | ID14-1 |
| Space group | P212121 |
| Unit-cell parameters (Å) | a = 105.78, b = 119.49, c = 137.68 |
| Limiting resolution (Å) | 2.9 (2.95–2.90) |
| Unique reflections | 36939 |
| Rmerge† | 0.16 (0.48) |
| Completeness (%) | 99.7 (99.8) |
| Mean multiplicity | 6.9 (6.7) |
| Mean I/σ(I) | 9.7 (2.9) |
| Wilson B factor (Å2) | 52.9 |
†
R
merge(I) = 
, where Ii(hkl) is the ith observed amplitude of reflection hkl and 〈I(hkl)〉 is the mean amplitude for measurements of reflection hkl.