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Macromolecular Crystallography, Part B - 1st Edition - ISBN: 9780121821784, 9780080881157

Macromolecular Crystallography, Part B, Volume 277

1st Edition

Editors in Chief: John Abelson Melvin Simon
Serial Volume Editors: Charles Carter, Jr. Robert Sweet
eBook ISBN: 9780080881157
Imprint: Academic Press
Published Date: 2nd September 1997
Page Count: 664


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Table of Contents

Phases: Horizon Methods: H.A. Hauptman, Shake and Bake: An Algorithm for Automatic Solution ab Initio of Crystal Structures. G. Bricogne, Ab Initio Macromolecular Phasing: A Blueprint for an Expert System Based on Structure Factor Statistics with Built-In Stereochemistry. Model-Independent Map Refinement: F.M.D. Vellieux and R.J. Read, Noncrystallographic Symmetry Averaging in Phase Refinement and Extension. K.Y.J. Zhang, K. Cowtan, and P. Main, Combining Constraints for Electron Density Modification. C.J. Gilmore and G. Bricogne, MICE Computer Program. C.W. Carter and S. Xiany, Phase Improvement Using Conditional Probability Methods: Maximum Entropy Solvent Flattening with Phase Permutation. R.J. Read, Model Phases: Probabilities and Bias. Models: Model Building: S. Fortier, A. Chiverton, J. Glasgow, and L. Leherte, Critical-Point Analysis in Protein Electron-Density Map Interpretation. J.S.Sack and F.A. Quiocho, Chain: A Crystallographic Modeling Program. T.A. Jones and M. Kjeldgaard, Electron Density Map Interpretation. G.J. Kleywegt and T.A. Jones, Model Building and Refinement Practice. B.C. Finsel, LORE: Exploiting Database of Known Structures. Refinement: A.T. Branger and L.M. Rice, Crystallographic Refinement by Simulated Annealing: Methods and Applications. V.S. Lamzin and K.S. Wilson, Automated Refinement for Protein Crystallography. D.E. Tronrud, The TNT Refinement Package. G.M. Sheldrick and T.R. Schneider, SHELXL: High-Resolution Refinement. J. Badger and D.L. Caspar, Modeling and Refinement of Water Molecules and Disordered Solvent. L.H. Jensen, Refinement and Reliability of Macromolecular Models Based on X-Ray Diffraction Data. Verification: Safe Crystallography: A. T. Branger, Free R Value: A More Objective Statistic for Crystallography. D. Eisenberg, R. Lathy, and J.U. Bowie, VERIFY3D: Assessment of Protein Models with Three-Dimensional Profiles. Dynamic Properties: From Static Diffraction Data: J.B. Clarage and G.N. Phillips, Jr., Analysis of Diffuse Scattering and Relation to Molecular Motion. From Time-Resolved Studies: Laue Diffraction: K. Moffat, Laue Diffraction. I.J. Clifton, E.M.H. Duke, S. Wakatsuki, and Z. Ren, Evaluation of Laue Diffraction Diagrams. I. Schlichting and R.S. Goody, Triggering Methods in Crystallographic Enzyme Kinetics. Presentation and Analysis: Illustrating Structures: M. Carson, Ribbons. E.A. Merrit and D.J. Bacon, Raster3D: Photorealistic Molecular Graphics. Modeling Structures: G.J. Kleywegt and T.A. Jones, Detecting Folding Motifs and Similarities in Protein Structures. Databases: G.L. Gilliland, Biological Macromolecule Crystallization Database. E.E. Abola, J.L. Sussman, J. Prilusky, and N.O. Manning, Protein Data Bank Archives of Three-Dimensional Macromolecular Structures. P.E. Bourne, H.M. Berman, J.D. Westbrook, B. McMahon, K.D. Watenpaugh, and P.M.D. Fitzgerald, Macromolecular Crystallographic Information File. Program Packages: W.F. Furey and S. Swaminathan, Phases-95: A Program Package forProcessing and Analyzing Diffraction Data from Macromolecules. M. Winn, E.J. Dodson, and A. Ralph, Collaborative Computational Project, Number 4: Providing Programs for Protein Crystallography. Author Index. Subject Index.


Macromolecular Crystallography, Part B is the"linch-pin"of the ongoing revolution in structural biology. In the past decade, fundamental transformations of nearly every technical aspect of structure determination by X-ray diffraction have taken place. The contributions of this volume and its companion Volume 276 emphasize the revision and extension of statistical tools that underly all phases of structure determination, the practical and conceptual impact of synchrotron radiation, horizon phase-determination methods, and computerized automation.

Key Features

@introbul:Key Features @bul:* Horizon methods for phase determination

  • Structure building, refinement, and analysis
  • Analysis of static diffraction patterns and multiple diffraction patterns recorded as a function of time
  • Accessory software for manipulating, archiving, analyzing, and presenting structures
  • Documentation of integrated software packages containing the tools needed for structure solution


Biochemists, biophysicists, analytical chemists, and physical chemists.


No. of pages:
© Academic Press 1997
2nd September 1997
Academic Press
eBook ISBN:


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About the Editors in Chief

John Abelson

Affiliations and Expertise

California Institute of Technology, Division of Biology, Pasadena, U.S.A.

Melvin Simon

Affiliations and Expertise

The Salk Institute, La Jolla, CA, USA

About the Serial Volume Editors

Charles Carter, Jr.

Affiliations and Expertise

University of North Carolina, Chapel Hill, U.S.A.

Robert Sweet

Affiliations and Expertise

Brookhaven National Laboratory, Upton, New York, U.S.A.