Table 2.
Space group | P21 | P3 |
Unit-cell parameters (Å) | a = 85.3, b = 143.3, c = 101.7 | a = b = 140.1, c = 101.3 |
α = γ = 90, β = 104.3 | α = β = 90, γ = 120 | |
Resolution (Å) | 2.4 | 2.2 |
Observed reflexions | 1,350,182 | 729,675 |
Unique reflexions | 94,206 | 113,239 |
Completeness (%) | 94.7 (78.2) | 90.4 (83.5) |
Rsym (%)a | 7.8 (27) | 8.8 (22.1) |
I/σ (I) | 13.9 (3.1) | 9.5 (3.1) |
Values for the highest resolution shell are given in parentheses (10 shells).
a Rsym = ∑hkl [(∑i|Ii − 〈I〉|)/∑iIi] for equivalent observations.