Macromolecular Crystallography Protocols, Volume 2: Structure Determination Book

TABLE OF CONTENTS VOLUME 2

HUMANA PRESS-CRYSTALLOGRAPHIC METHODS AND PROTOCOLS

Sylvie Doublié, 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 Gérard 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 Doublié 1-8