Table 1.
Data statistics | |
Space group | P1 |
Unit cell dimensions | a = 71.40, b = 105.71, c = 71.35, α = 104.63, β = 108.91, γ = 71.53 |
Molecules/asym. unit | 8 |
No. of crystals | 3 |
Resolution, Å | 2.1 |
Observations, N | 1,169,328 |
Unique reflections, N | 110,459 |
Mean redundancy | 5.2 |
Completeness, % | 91.2 |
Rsym (I), % | 9.8 |
Refinement statistics | |
Resolution range, Å | 20.0–2.1 |
No. of model atoms | 12,896 |
No. water molecules | 200 |
R-value† | 0.195 |
Free R-value‡ | 0.255 |
rmsd from ideals | |
Bond length, Å | 0.013 |
Bond angle, ○ | 2.5 |
Average B value | 33.3 |
Rsym = (Σ|I − 〈I〉|)/(Σ|I|).
Crystallographic R-value (Σ∥F(Obs)| − |F(Calc)∥)/(Σ|F(Obs)|)) with 95% of the native data for refinement.
Free R-value: R-value based on 5% of the native data withheld from refinement.