Macromolecular Crystallography Protocols Volume II: Structure Determination

About this book

In the decade since publication of the first edition of Crystallographic Methods and Protocols the field has seen several major developments that have both accelerated the pace of structure determination and made crystallography accessible to a broader range of investigators. Volume I, Preparation and Crystallization of Macromolecules is dedicated to the crystallization and ways to increase the odds of obtaining crystals in macromolecules, while Volume 2, Structure Determination, covers both computational methods for characterizing crystals and solving structures.

Contents

TABLE OF CONTENTS VOLUME 2; HUMANA PRESS-CRYSTALLOGRAPHIC METHODS AND PROTOCOLS; Sylvie Doublie, Editor; CHAPTER TITLE AUTHOR(S) PAGE; 1. Cryocrystallography of macromolecules: practice and optimisation; Elspeth Garman and Robin L. Owen 1-24; 2. Determination of reaction intermediates structures in heme proteins; Kelvin Chu 1-19; 3. Annealing Macromolecular Crystals Gerard J. Bunick and B. Leif Hanson 1-16; 4. First Analysis of Macromolecular Crystals: Biochemistry and X-ray Diffraction; David Jeruzalmi 1-32; 5. X-ray Data-Collection from Macromolecular Crystals; Elspeth Garman and Robert M. Sweet 1-44; 6. Characterizing your Crystal from an Initial Native Data Set Michael R. Sawaya 1-37; 7. Molecular replacement Eric Toth 1-37; 8. Phase determination using halide ions; Miroslawa Dauter and Zbigniew Dauter 1-11; 9. Multiple isomorphous replacement Mark Rould; 1-25; 10. Substructure determination in MAD, SAD, and SIRAS data using Shake-and-Bake (SnB); P. Lynne Howell, G. David Smith, and Christopher T. Lemke; 1-22; 11. Substructure determination in isomorphous replacement and anomalous diffraction experiments; Ralph Grosse-Kunstleve and Thomas Schneider; 1-22; 12. Automated structure solution with autoSHARP Clemens Vonrhein, Eric Blanc, Pietro Roversi and Gerard Bricogne; 1-24; 13. Introduction to Macromolecular Refinement Dale E. Tronrud 1-32; 14. Quality control and validation Gerard J. Kleywegt 1-36; 15. Crystallographic software: A sustainable resource for the community Stephen Everse and Sylvie Doublie 1-8

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