Table 1. Data-collection and processing statistics.
Values in parentheses are for the outermost shell.
Temperature (K) | 120 |
Space group | P43 |
Unit-cell parameters (Å) | |
a | 43.15 |
b | 43.15 |
c | 231.86 |
VM (Å3 Da−1) | 2.36 |
Solvent content (%) | 48 |
Resolution range (Å) | 43.15–2.04 (2.11–2.04) |
No. of measured reflections | 181494 |
No. of unique reflections | 26502 (2641) |
Completeness (%) | 98.5 (99.1) |
Multiplicity | 6.8 (4.0) |
Average I/σ(I) | 12.9 (4.2) |
Rmerge(I)† (%) | 10.5 (24.7) |
R
merge(I) =
, where I
l is the lth observation of reflection h and 〈I
h〉 is the weighted average intensity for all observations l of reflection h.