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

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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 andδ 21 . 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.

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References

  • Dale D, Hodgkin D C and Venkatesan K 1963Crystallography and Crystal Perfection (ed.) G N Ramachandran (London: Academic press) p. 237

    Google Scholar 

  • Demidovich B P and Maron I A 1981Computational Mathematics (Moscow: MIR)

    Google Scholar 

  • Foster P and Hargreaves A 1963Acta Crystallogr. 16 1124, 1133

    Article  Google Scholar 

  • Geurtz T J H 1963Application of anomalous scattering methods in the structure determination of cytisine hydrochloride Ph.D. Thesis, Rijks Universiteit, Utrecht

    Google Scholar 

  • Hall S R and Maslen E N 1965Acta Crystallogr. 18 265

    Article  Google Scholar 

  • International Tables for X-ray Crystallography Vol I 1969 (England: The Kynoch Press)

  • Par Roques R, Rossi J C, Declerco E T J and German E T G 1980Acta Crystallogr. B36 1589

    Google Scholar 

  • Parthasarathy S 1965Acta Crystallogr. 18 1028

    Article  Google Scholar 

  • Parthasarathy S 1982Crystallographic Statistics (eds) S Ramaseshan, M F Richardson and A J C Wilson (Bangalore: Indian Academy of Sciences) p. 133

    Google Scholar 

  • Parthasarathy S and Srinivasan R 1964Acta Crystallogr. 17 1400

    Article  Google Scholar 

  • Parthasarathy S and Ponnuswamy M N 1976Acta Crystallogr. A32 302

    ADS  Google Scholar 

  • Peerdemann A F and Bijvoet J M 1956Acta Crystallogr. 9 1012

    Article  Google Scholar 

  • Ponnuswamy M N and Parthasarathy S 1977Acta Crystallogr. A33 298

    ADS  Google Scholar 

  • Ramachandran G N and Raman S 1956Curr. Sci. 25 348

    Google Scholar 

  • Ramachandran G N and Srinivasan R 1970Fourier Methods in Crystallography (New York: Wiley)

    Google Scholar 

  • Raman S 1959Z. Kristallogr. 111 301

    Article  Google Scholar 

  • Shamala N and Venkatesan K 1972Cryst. Struct. Commun. 1 227

    Google Scholar 

  • Srinivasan R and Parthasarathy S 1976Some Statistical Applications in X-ray Crystallography (New York: Pergamon press)

    Google Scholar 

  • Stout G H and Jenson L H 1968X-ray Structure Determination (New York: The Macmillan Company)

    Google Scholar 

  • Velmurugan D and Parthasarathy S 1984Acta Crystallogr. 40 548

    Article  Google Scholar 

  • Yow-lam Oh and Maslen E N 1966Acta Crystallogr. 20 852

    Article  Google Scholar 

Download references

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Authors and Affiliations

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

    K Chinnakali, S Parthasarathy & N Elango

Authors
  1. K Chinnakali
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  2. S Parthasarathy
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  3. N Elango
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Contribution No. 702.

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Chinnakali, K., Parthasarathy, S. & Elango, N. Theoretical evaluation of the probability of success of the quasi-anomalous method. Pramana - J Phys 29, 193–206 (1987). https://doi.org/10.1007/BF02845727

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  • DOI: https://doi.org/10.1007/BF02845727

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