Table 1. Crystallographic statistics.
Diffraction data | |
Space group | P3121 |
Unit cell Dimensions (Å,°) | a = 57.6, b = 57.6, c = 140.2, α = 90.0, β = 90.0, γ = 120.0 |
Resolution limits (Å) | 40.64−1.72 (1.81−1.72)† |
Unique reflections | 29,422 (4,197) |
Completeness (%) | 99.9 (99.1) |
Multiplicity | 16.2 (7.2) |
R-merge (%) | 8.1 (60.9) |
I/σI | 19.2 (2.3) |
Refinement data | |
R-factor (%) | 15.19 |
R-free (%) | 20.07 |
RMSD from ideal geometry: | |
Bonds | 0.011 Å |
Angles | 1.424° |
Chiral volumes | 0.071 Å3 |
Planar groups | 0.007 Å |
Values in parentheses refer to the highest resolution bin.