• Theoretical evaluation of the probability of success of the quasi-anomalous method

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      https://www.ias.ac.in/article/fulltext/pram/029/02/0193-0206

    • Keywords

       

      Probability; quasi-anomalous method; crystals

    • Abstract

       

      Theoretical expressions for the probability of success of the quasi-anomalous method have been derived for triclinic, monoclinic and orthorhombic crystals containing a few (1, 2 or 3) heavy atoms per asymmetric unit besides a large number of light atoms. The results derived take into account data-truncation due to unobserved reflections. Using the theoretical expressions, tables of probability values for the success of the quasi-anomalous method are obtained as a function of the relevant parametersk andδ12. Corresponding results for triclinic crystals containing many heavy atoms (i.e.P = MN and MC cases) have also been obtained. It is seen that, using suitable heavy atoms to prepare the heavy-atom derivative, probability of success as high as 0.7 could be obtained in the case of proteins containing 1000 to 1500 atoms.

    • Author Affiliations

       

      K Chinnakali1 S Parthasarathy1 N Elango1

      1. Department of Crystallography and Biophysics, University of Madras, Guindy Campus, Madras - 600 025, India
    • Dates

       
  • Pramana – Journal of Physics | News

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