The independent component analysis as a new tool to determine solvent content in protein crystals

Massimo Ladisa, A. Lamura, G. Nico and D. Siliqi

Physica A: Statistical Mechanics and its Applications, 2005, vol. 349, issue 3, 571-581

Abstract: Estimating the solvent content in protein crystals is one of the first steps in a macromolecular structure determination. We apply a new statistical technique, the independent component analysis (ICA), to determine the volume fraction of the asymmetric unit of proteins occupied by the solvent. The results for several crystal forms are in good agreement with available ones and allow to validate the method. Its main advantage with respect to existing techniques is that it requires only the knowledge of crystallographic data of structure factors and no a priori information about protein.

Keywords: Independent component analysis; Solvent content; Protein crystals (search for similar items in EconPapers)
Date: 2005
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:349:y:2005:i:3:p:571-581

DOI: 10.1016/j.physa.2004.11.005

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