Table 1.
Data-collection statistics
| Values in parentheses are for the highest resolution bin | |
|---|---|
| Wavelength ( ) | 1.5418 |
| Spacegroup | P21 |
| Unit cell dimensions (′,°) | a = 81.86 b = 88.91 c = 88.77, β = 112.46 |
| Resolution range (′) | 19.98 – 2.00 (2.07 – 2.00) |
| Total number of reflections | 300953 |
| Number of unique reflections | 76040 |
| Average redundancy | 3.96 (3.88) |
| % completeness | 95.8 (93.1) |
| Rmerge† | 0.113 (0.398) |
| Reduced chisquared | 0.98 (1.08) |
| (I/sigI) | 7.9 (3.1) |
Rmerge = Σ|Iobs − Iave|/ΣIave.