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Il Milione and SIR2008
Submitted by Sabino Maggi on 28 September, 2009 - 17:50

IL MILIONE is a suite of computer programs devoted to protein crystal structure determination by X-ray crystallography. The current package also contains SIR2008, the latest version of the well-known Sir package for the solution and refinement of small molecule single crystal structures.

IL MILIONE  may be used in the following key activities:
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¨C1.5 Å.
MAD/SAD, MIR/SIR, MIRAS/SIRAS techniques
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 uses the above information to phase protein reflections. Phase extension and refinement are performed by electron density modification techniques.
Molecular replacement
The orientation and the location of the protein molecules are found via reciprocal space methods. Phase extension and refinement are performed by electron density modification techniques. All the programs integrated into IL MILIONE are controlled by means of a user-friendly graphical user interface, which is used to input data and to monitor intermediate and final results by means of real-time updated messages, diagrams and histograms.





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