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

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 uses the above information to phase protein reflections. Phase extension and refinement are performed by electron density modification techniques. (c) 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. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Journal of Applied Crystallography Wiley

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References (33)

Publisher
Wiley
Copyright
Copyright © 2007 Wiley Subscription Services, Inc., A Wiley Company
ISSN
1600-5767
eISSN
1600-5767
DOI
10.1107/S0021889807010941
Publisher site
See Article on Publisher Site

Abstract

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 uses the above information to phase protein reflections. Phase extension and refinement are performed by electron density modification techniques. (c) 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.

Journal

Journal of Applied CrystallographyWiley

Published: Jun 1, 2007

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