Table 1.
Space group | P1 | P31 |
Cell dimensions (Å) (°) | a = 27.9 | a = 49.7 |
b = 28.5 | b = 49.7 | |
c = 37.2 | c = 36.5 | |
α = 107.4 | α = 90.0 | |
β = 96.9 | β = 90.0 | |
γ = 104.6 | γ = 120.0 | |
Molecules/asymmetric unit | 2 | 2 |
Resolution (Å) | 1.8 | 2.0 |
Completeness (%) | 94.0 | 99.7 |
Observed reflections | 33871 | 24299 |
Unique reflections | 9025 | 6795 |
Rmergea (%) | 7.2 | 6.9 |
R-factorb (%) | 20.2 | 18.9 |
R-free (%) | 23.3 | 23.5 |
Number of protein atoms | 970 | 963 |
Number of water molecules | 94 | 92 |
Average B-value (Å2) | ||
overall | 20.8 | 24.6 |
main chain | 19.2 | 23.9 |
side chain | 22.3 | 25.4 |
R.m.s.d. bond lengths (Å) | 0.007 | 0.016 |
R.m.s.d. bond angles (°) | 1.38 | 1.85 |
a Rmerge = ∑|Ii − 〈I〉| Σ 〈I〉.
bR-factor = ∑|Fo = Fc|/∑Fo.