High-resolution crystallographic modelling of a macromolecule

摘要

A method for constructing an image of a macromolecular crystal includes steps of providing an envelope which defines the region of a unit cell occupied by the macromolecule; distributing a collection of scattering bodies within the envelope; condensing the collection of scattering bodies to an arrangement that maximizes the correlation between the diffraction pattern of the crystal and a pattern of Fourier amplitudes for the collection of scattering bodies; determining the phase associated with at least one of the Fourier amplitudes of the condensed collection of scattering bodies; calculating an electron density distribution of the crystal from the phase information; and defining an image of the macromolecule in the electron density distribution.