Direct Methods for Solving Macromolecular Structures

Front Matter....Pages i-x
Front Matter....Pages 1-1
The Phase Problem of X-Ray Crystallography: Overview....Pages 3-10
A Simple Introduction to Direct Methods....Pages 11-18
An Elementary Introduction to Direct Methods....Pages 19-26
A Simple Introduction to Patterson Methods....Pages 27-32
An Introduction to Probability Theory....Pages 33-44
Front Matter....Pages 45-45
Intensity Statistics and Normalization....Pages 47-71
Invariants, Seminvariants and Phase Relationships....Pages 73-78
Sayre Equation, Tangent Formula and SAYTAN....Pages 79-85
Probabilistic Phasing Methods Versus Macromolecular Crystallography....Pages 87-97
Introduction To the Use of Non-Crystallographic Symmetry in Phasing....Pages 99-108
An Introduction to Maximum entropy in Action....Pages 109-117
Crystal Structure Refinement Incorporating Chemical Information....Pages 119-130
Location of Heavy Atoms by Automated Patterson Interpretation....Pages 131-141
New Applications of Simulated Annealing in Crystallographic Refinement....Pages 143-157
Figures of Merit for Evaluating Phases....Pages 159-167
Introduction to Density Modification....Pages 169-179
An Integrated Graphical User Interface for Crystallographic Software....Pages 181-186
Isomorphous Replacement: A Survey of Recent Developments....Pages 187-197
A Theoretical Study on the Measurability of Bijvoet Differences in Macromolecular Crystals....Pages 199-209
Multiwavelength Anomalous Diffraction in Macromolecular Crystallography....Pages 211-225
Front Matter....Pages 45-45
The Solvent Contrast Variation Method....Pages 227-237
Obtaining Phases from Electron Microscopy for Solving Protein Structures....Pages 239-250
Front Matter....Pages 251-251
Solving a Heavy-Atom Substructure by Direct Methods....Pages 253-273
Direct Methods in Relation to Isomorphous Data....Pages 275-284
Integration of Direct Methods with SIR Techniques....Pages 285-295
Direct Methods of Solving Phase Ambiguities in Macromolecular Structures....Pages 297-305
Phase Refinement....Pages 307-310
On the Use of Partial Structure Information in Ab Initio Direct Methods....Pages 311-316
Direct Methods with Electron Microscope Information....Pages 317-327
Density Modification and Direct Methods....Pages 329-337
Molecular Scene Analysis and Its Role in Protein Structure Determination....Pages 339-359
Membrane Proteins Solved by Electron Microscopy and Electron Diffraction....Pages 361-380
The Phase Problem: A Problem in Constrained Global Optimization....Pages 381-388
 Shake-and-Bake : Applications and Advances....Pages 389-400
SHELX Applications to Macromolecules....Pages 401-411
 Ab Initio Determination of a Low Resolution Molecular Envelope by Direct Methods....Pages 413-419
Model Based Very Low Resolution Phasing....Pages 421-431
Use of Non-Crystallographic Symmetry for Ab Initio Phasing of Virus Structures....Pages 433-442
Front Matter....Pages 443-443
Direct Methods, and the use of Synchrotron Radiation for Macromolecular Crystallography....Pages 445-450
The Likelihood Based Choice of Priors in Statistical Approaches to the Phase Problem....Pages 451-454
Front Matter....Pages 443-443
Developments in Maximum Entropy and Likelihood....Pages 455-462
Extending the Resolving Power of Shake-and-Bake ....Pages 463-468
Reinvestigation of the Use of Patterson Maps to Extrapolate Data to Higher Resolution....Pages 469-473
Intensity Oversampling from Crystallographic Sampling via Discrete Hilbert Transforms....Pages 475-478
Applications of Direct Methods with Single Isomorphous Replacement or One-Wavelength Anomalous Scattering Data....Pages 479-485
Direct Methods and Molecular Replacement Techniques: The Translation Problem....Pages 487-497
Holographic Methods in X-Ray Crystallography....Pages 499-502
A Comparison of Two Algorithms for Electron Density Map Improvement by Introduction of Atomicity: Skeletonization, and Map Sorting Followed by Refinement....Pages 503-511
Real-Space Refinement Using RSRef....Pages 513-519
Towards the Enantiomorph Specific Probabilistic Theory of the Structure Invariants....Pages 521-523
Back Matter....Pages 525-526