Macromol­ecular phasing using diffraction from multiple crystal forms

A phasing algorithm for macromol­ecular crystallography is proposed that utilizes diffraction data from multiple crystal forms – crystals of the same mol­ecule with different unit-cell packings (different unit-cell parameters or space-group symmetries). The approach is based on the method of iterated projections, starting with no initial phase information. The practicality of the method is demonstrated by simulation using known structures that exist in multiple crystal forms, assuming some information on the mol­ecular envelope and positional relationships between the mol­ecules in the different unit cells. With incorporation of new or existing methods for determination of these parameters, the approach has potential as a method for ab initio phasing.