Table 1 Data collection and refinement statistics
From: AcrIIA19 binds to the WED domain and inhibits various Cas9 orthologs at multiple stages
Data collection | |
|---|---|
Space group | P 41 21 2 |
Unit cell parameter a, b, c (Å) | |
a, b, c (Å) | a = 64.43, b = 64.43, c = 62.82 |
α, β, γ (°) | α = 90, β = 90, γ = 90 |
Resolution range (Å) | 28.81–1.45 |
Total reflections | 616,092 |
Unique reflections | 24,054 |
Multiplicitya | 25.6 (25.3) |
Completeness (%)a | 99.98 (100.00) |
Mean I/σ(I)1 | 28.29 (2.41) |
Rmergea,b | 0.06604 (1.474) |
Wilson B-factor (Å2) | 20.90 |
Refinement | |
Resolution range (Å) | 28.81–1.45 |
Reflections | 24,052 |
Rwork (%)a | 20.91 (27.03) |
Rfree (%)a | 21.89 (25.83) |
No. of molecules in the asymmetric unit | 1 |
No. of non-hydrogen atoms | 821 |
Macromolecules | 733 |
Ligands | 1 |
Solvents | 87 |
Average B-factor values (Åb) | 23.55 |
Macromolecules | 22.41 |
Ligands | 26.92 |
Solvents | 33.14 |
Ramachandran plot: | |
Favored/allowed/outliers (%) | 100.00 / 0.00 / 0.00 |
Rotamer outliers (%) | 0.00 |
Clash score | 0.68 |
RMSD bonds (Å) / angles (°) | 0.014 / 2.02 |
