Figure 1
Summary of the approaches utilized for coiled-coil structure solution by AMPLE in this study. The AMPLE pipeline generated a series of clustered and truncated ensembles for each of the three ab initio modelling methods (each clustered from 1000 models), which were fed into the MrBUMP pipeline for Phaser molecular replacement followed by SHELXE chain tracing. Automated structure building was performed using Phenix AutoBuild for the highest SHELXE correlation coefficient solution of each modelling method. Successful solution was determined by the Rfree (<0.45), build completeness, map quality and correlation coefficient (>0.60) with the deposited structure. |