Table 1.
Data Collection and Refinement Statisticsa
| Data Collection | |
| beamline | SBC19-ID (APS) |
| wavelength (Å) | 0.9794 |
| resolution range (Å) | 33.48–1.95 (2.02–1.95) |
| space group | I222 |
| unit cell | 56.65 Å, 135.54 Å, 149.61 Å, 90°, 90°, 90° |
| total no. of reflections | 41902 |
| no. of unique reflections | 38497 (2564) |
| multiplicity | 4.0 (3.2) |
| completeness (%) | 0.995 (0.997) |
| mean I/σ(I) | 16.25 (2.15) |
| Wilson B factor | 18.02 |
| Rmerge, Rmeas | 0.10 (0.81), 0.11 (0. 95) |
| Refinement | |
| Rwork, Rfree | 0.162 (0.179), 0.184 (0.204) |
| bonds (Å)/angles (deg) | 0.008/1.174 |
| no. of non-hydrogen atoms | 3191 |
| macromolecules | 2936 |
| ligands | 23 |
| protein residues | 384 |
| root-mean-square deviation for bonds (Å) | 0.008 |
| root-mean-square deviation for angles (deg) | 1.13 |
| Ramachandran favored/allowed (%) | 98/2.1 |
| Ramachandran outliers (%) | 0 |
| rotamer outliers (%) | 2.2 |
| Clashscore | 0.85 |
| average B factor (Å2) | 25.99 |
| molecule/ligands/solvent (Å2) | 25.66/20.39/30.69 |
Statistics for the highest-resolution shell are shown in parentheses.