Table I.
Maximum resolution (Å) | 1.8 |
Space group | P3221 |
Unit cell parameters (Å, °) | a = b = 48.4, c=62.0 |
α = β = 90, γ = 120 | |
Number of observations | 34,649 |
Rmerge (%)a | 7.1 (31.1) |
I/σI | 17.8 (5.1) |
Redundancy | 4.3 (4.3) |
Resolution range used for refinement (Å) | 30–1.80 |
Number of reflections | 7857 |
Completeness (%) | 99 (100) |
R factor (%) | 18.3 (22.1) |
Free R factor (%) | 21.1 (25.1) |
RMS deviation in bond lengths (Å) | 0.011 |
RMS deviation in bond angles (°) | 1.6 |
The numbers in parentheses are for the highest resolution shell (1.86–1.8 Å).