Table 1. Crystal parameters and processing statistics for the synchrotron data set.
Values in parentheses are for the highest resolution shell.
Space group | P3121 or P3221 |
Unit-cell parameters (Å) | a = b = 136.4, c = 210.7 |
Wavelength (Å) | 0.934 |
Resolution range (Å) | 25–2.2 (2.32–2.2) |
No. of measured reflections | 1373149 (139948) |
No. of unique reflections† | 115606 (16711) |
Completeness (%) | 99.9 (100.0) |
Multiplicity | 11.9 (8.4) |
Anomalous completeness (%) | 99.9 (99.9) |
Anomalous multiplicity | 6.0 (4.2) |
〈I〉/σ〈I〉 | 18.9 (4.3) |
Rsym‡ | 0.078 (0.438) |
I + and I − were scaled separately.
R
sym =
, where I is the intensity of reflection.