IL MILIONE : a suite of computer programs for crystal structure solution of proteins

IL MILIONE is a suite of computer programs devoted to protein crystal structure determination by X-ray crystallography. It may be used in the following key activities. ( a ) Ab initio phasing, via Patterson or direct methods. The program may succeed even with structures with up to 6000 non-H atoms in the asymmetric unit, provided that atomic resolution is available, and with data at quasi-atomic resolution (1.4–1.5 Å). ( b ) Single or multiple isomorphous replacement, single- or multiple-wavelength anomalous diffraction, and single or multiple isomorphous replacement with anomalous scattering techniques. In the first step the program finds the heavy-atom/anomalous scatterer substructure, then automatically…