Direct Methods for Solving Macromolecular Structures

  • Suzanne Fortier

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

Table of contents

  1. Front Matter
    Pages i-x
  2. Introduction

    1. Front Matter
      Pages 1-1
    2. Paul T. Beurskens
      Pages 11-18
    3. Paul T. Beurskens
      Pages 27-32
    4. C. J. Gilmore
      Pages 33-44
  3. Tools for Solving the Phase Problem

    1. Front Matter
      Pages 45-45
    2. Mathematical methods

    3. Computational methods

      1. Axel T. Brünger, Paul D. Adams, Luke M. Rice
        Pages 143-157
      2. C. J. Gilmore
        Pages 159-167
      3. K. D. Cowtan
        Pages 169-179
      4. John J. Irwin, Eric De La Fortelle
        Pages 181-186
    4. Experimental methods

      1. A. D. Podjarny, L. Moulinier, F. Tete-Favier, J. Cavarelli
        Pages 187-197
      2. Charles W. Carter Jr.
        Pages 227-237
  4. Applications of Direct Methods to Macromolecular Structures

    1. Front Matter
      Pages 251-251
    2. Integration of direct methods with experimental phase information

    3. Combining direct methods with structural information

    4. Ab initio phasing

      1. Russ Miller, Charles M. Weeks
        Pages 389-400
      2. George M. Sheldrick
        Pages 401-411
      3. A. Podjarny, A. Urzhumtsev, V. Lunin
        Pages 421-431
      4. Michael S. Chapman, Eric Blanc, John E. Johnson, Robert Mckenna, Sanjeev Munshi, Michael G. Rossmann et al.
        Pages 433-442
  5. Latest Developments

    1. Front Matter
      Pages 443-443
    2. Robert M. Sweet, John M. Skinner, Thomas C. Terwilliger
      Pages 445-450
    3. C. J. Gilmore, W. V. Nicholson
      Pages 455-462
    4. Charles M. Weeks, Russ Miller, Herbert A. Hauptman
      Pages 463-468
    5. H. F. Fan, Q. Hao, I. Harvey, S. S. Hasnain, Y. D. Liu, Y. X. Gu et al.
      Pages 479-485

About this book


This book of the proceedings of the 1997 NATO Advanced Study Institute (ASI) on Direct Methods for Solving Macromolecular Structures was assembled from the lecturers' contributions and represents a comprehensive and in-depth overview of crystallographic structure determination methods for macromolecules. While having a focus based on the direct methods, the Institute adopted an inclusive and broad perspective. Thus, both direct and experimental phasing techniques are presented in this book, highlighting their complementarities and synergies. As weil, methodologies spanning the full crystallographic image reconstruction process - from low resolution envelope definition to high resolution atomic refinement- are discussed. The first part of the book introduces the array of tools currently used in structure determination, whether originating from a mathematical, computational or experimental framework. This section of the book displays the variety and ingenuity of old and new phasing approaches developed to solve increasingly complex structures. Some of the contributions focus on recent developments and/or implementations that have given older approaches a new life. A case in point is the re-implementation of Buerger's superposition approach, which is now solving protein structures. Another beautiful example is found in the introduction to the traditional multiple isomorphous replacement approach where new techniques, such as site-directed mutagenesis and the use of inert gases in the preparation of heavy atom derivatives, are described. Equally impressive are the presentations of newer approaches, which take advantage of advances on the experimental front (e. g.


Atom X-ray crystallography crystal crystal structure crystallography electron electron microscope entropy mathematical method microscopy protein proteins scattering structure translation

Editors and affiliations

  • Suzanne Fortier
    • 1
  1. 1.Departments of Chemistry and Computing and Information ScienceQueen’s UniversityKingstonCanada

Bibliographic information

  • DOI
  • Copyright Information Springer Science+Business Media B.V. 1998
  • Publisher Name Springer, Dordrecht
  • eBook Packages Springer Book Archive
  • Print ISBN 978-90-481-4994-0
  • Online ISBN 978-94-015-9093-8
  • Series Print ISSN 1389-2185
  • Buy this book on publisher's site
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