The molecular replacement method. I. The rotation function problem, application to bovine liver catalase and STNV

A method to predict all peaks of the rotation function corresponding to a given molecular crystal is formulated in a rigorous mathematical manner. The applicability of this method is shown both in the analysis of rotation function data and in testing the validity of model molecular crystals proposed on the basis of limited rotation function data. Possible models of crystalline bovine liver catalase are determined assuming that all peaks of the rotation function are contained in the set of peaks determined by Eventoff and Gurskaya. All peaks of the rotation function corresponding to a model of crystalline satellite tobacco necrosis virus (STNV) proposed by Klug and Akervall et al. are determined and tabulated. Experimental determination of all these peaks would be a final test of the validity of this generally accepted model of crystalline STNV.