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Direct Methods in Relation to Isomorphous Data

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Direct Methods for Solving Macromolecular Structures

Part of the book series: NATO ASI Series ((ASIC,volume 507))

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Abstract

In the last decades Direct Methods (DM) have played an important role in the structure determination of small molecules, say up to 100 independent atoms in the asymmetric unit. Larger structures up to 600 atoms have been determined by the DM-based Shake-and-Bake technique [1] but only at the expense of an enormous computing effort. The success rate of DM drops dramatically if the amount of independent atoms becomes larger so at first sight a DM application to macromolecules seems to be impossible. On the other hand, a long tradition exists in solving macromolecular structures by means of multiple isomorphous replacement data. Recently, also algebraic techniques have been developed that exploit single and multiple anomalous scattering (SAS, MAD). In the MAD case this led to a solvable set of equations in wavelength-independent quantities [2, 3, 4] and several macromolecular structures [5, 6] have been determined successfully by the program system MADSYS [4] that is based upon this technique.

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Abbreviations

c.f.:

Characteristic function

j.p.d.:

Joint probability distribution

c.p.d.:

Conditional probability distribution

(p.)r.v.:

(Primitive) random variable

(d.)s.f.:

(Difference) structure factor

DM:

Direct methods

SIR(N)AS:

Single isomorphous replacement with(out) anomalous scattering effects

SAS:

Single-wavelength anomalous scattering

MAD:

Multi-wavelength anomalous dispersion

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Authors and Affiliations

  1. Laboratory for Crystallography, Amsterdam Institute for Molecular Studies, University of Amsterdam, Nieuwe Achtergracht 166, 1018 WV, Amsterdam, The Netherlands

    R. Peschar

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  1. R. Peschar
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Editor information

Editors and Affiliations

  1. Departments of Chemistry and Computing and Information Science, Queen’s University, Kingston, Ontario, Canada

    Suzanne Fortier

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© 1998 Springer Science+Business Media New York

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Peschar, R. (1998). Direct Methods in Relation to Isomorphous Data. In: Fortier, S. (eds) Direct Methods for Solving Macromolecular Structures. NATO ASI Series, vol 507. Springer, Dordrecht. https://doi.org/10.1007/978-94-015-9093-8_24

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  • DOI: https://doi.org/10.1007/978-94-015-9093-8_24

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-90-481-4994-0

  • Online ISBN: 978-94-015-9093-8

  • eBook Packages: Springer Book Archive

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