PF2 fit: Polar Fast Fourier Matched Alignment of Atomistic Structures with 3D Electron Microscopy Maps
Fig 9
Fitting the PDB molecule 𝓟 (1AONb) to the GroEL 3D EM map 𝓜 (EMD 1461) at 7.7Å.
(A) Full 3D EM map 𝓜 with segmented subunit 𝓜s (inset, top). The molecule 𝓟 is fitted into 𝓜s using PF2 fit (inset, bottom). (B) Initial guess for rigid-body fit into 𝓜. (C) PF2 fit generates translational samples local to the initial guess to find the depicted correct result. Correctness is measured by deviation from the rigid-body fit in (A). The result has an RMSD of 0.3Å from the fitting result in (A) and is ranked at number four in a run of PF2 fit with angular resolution of 10°.