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Nucleic Acids Research Advance Access published online on May 8, 2007
Nucleic Acids Research, doi:10.1093/nar/gkm225
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© 2007 The Author(s)
This is an Open Access article distributed under the terms of the Creative Commons Attribution Non-Commercial License (http://creativecommons.org/licenses/by-nc/2.0/uk/) which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited.

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CrystTwiV: a webserver for automated phase extension and refinement in X-ray crystallography

Trias Thireou1, Vassilis Atlamazoglou1, Manolis Levakis1, Elias Eliopoulos2, Athanassios Hountas1, George Tsoucaris3 and Kostas Bethanis1,*

1Physics Lab, Department of Science, 2Department of Biotechnology, Agricultural University of Athens, 75 Iera Odos, Votanikos, Athens 118-55, Greece and 3Centre de recherche de restauration des musées de France, C2RMF-U.M.R. 171 du C.N.R.S., Palais du Louvre, 75001 Paris, France

*To whom correspondence should be addressed. Tel: +30 210 5294211; Fax: +30 210 5294233; Email: kbeth{at}aua.gr

Received January 30, 2007. Revised March 20, 2007. Accepted March 28, 2007.

An important stage in macromolecular crystallography is that of phase extension and refinement when initial phase estimates are available from isomorphous replacement or anomalous scattering or other methods. For this purpose, an alternative method called the twin variables (TwiV) method has been proposed. The algorithm is based on alternately transferring the phase information between the twin variable sets. The phase extension and refinement is evaluated with the crystallographic symmetry test by deliberately sacrificing the space-group symmetry in the starting set, then using its re-appearance as a criterion for correctness. Here we present a software program (CrysTwiV) that runs on the web (freely available at: http://btweb.aua.gr/crystwiv/) implementing the above-mentioned method.


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