Table 1.
Space group | I222 |
Unit cell, Å | 122.5 by 222.5 by 374.2 |
Wavelength, Å | 0.965 |
Mosaicity, ° | 0.44 |
Resolution, Å | 20–2.8 (2.9–2.8) |
Completeness, % | 99.8 (99.4) |
Redundancy | 3.9 (2.9) |
Unique reflections | 124,441 (12,292) |
Rsym, % | 6.7 (21.6) |
Values in parentheses correspond to the highest-resolution shell. Rsym = Σi,h|I(i,h) − 〈I(h)〉|/Σi,h|I(i,h)|, where 〈I(h)〉 is the mean of the I observations of reflection h. Rsym was calculated with anomalous pairs merged; no sigma cut-off was applied.