Table 3.
Wavelength (Å) | 1.54 |
Resolution range (Å) | 28.5–1.67 (1.73–1.67)a |
Space group | P3221 |
Unit cell | |
a, b, c (Å) | 30.01, 39.01, 159.2 |
α, β, γ (°) | 90, 90, 120 |
Total reflections | 17,229 (1459)a |
Unique reflections | 195,722 |
Multiplicity | 11.4 |
Completeness (%) | 98.7 (87.7)a |
Mean I/σ | 24.0 (1.31)a |
Wilson B factor | 26.4 |
Rmerge | 0.079 |
Rwork (%) | 18.8 (26.8)a |
Rfree (%) | 22.8 (30.6)a |
No. of non-hydrogen atoms | 1434 |
Macromolecules | 1281 |
Ligands | 33 |
Water | 120 |
Protein residues | 166 |
Root mean square (bonds) | 0.007 |
Root mean square (°) | 1.11 |
Ramachandran favored (%) | 97 |
Ramachandran outliers (%) | 0 |
Clash score | 4.3 |
B-factor (average) | 28.5 |
Macromolecules | 27.7 |
Ligands | 25.4 |
Solvent | 36.7 |
a Parentheses refer to data in highest resolution shell.