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

Author

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

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.

Suggested Citation

  • Ladisa, Massimo & Lamura, A. & Nico, G. & Siliqi, D., 2005. "The independent component analysis as a new tool to determine solvent content in protein crystals," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 349(3), pages 571-581.
    • Handle: RePEc:eee:phsmap:v:349:y:2005:i:3:p:571-581
    DOI: 10.1016/j.physa.2004.11.005
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