Figure 1
Structure redeterminations using AlphaFold predictions obtained during automated structure redeterminations for the 208 analyses that yielded a molecular-replacement solution. (a) Correlation of maps calculated from deposited models to density-modified maps (Terwilliger, 2000). (b) Percentage of Cα atoms in redetermined models within 2 Å of a Cα atom in deposited models after applying overall space-group-specific origin shifts and including space-group symmetry-related copies in the comparison. Successful cases are shown as solid bars and unsuccessful cases are shown as open bars. (c) Log-likelihood gain in molecular replacement and free R values for automatic structure analyses. Unsuccessful cases are indicated by open circles. (d) Free R values as in (c) but shown as a function of the high-resolution limit of the X-ray data. |