Pushing the boundaries of molecular replacement with maximum likelihood
Why improve molecular replacement?
Why maximum likelihood?
Principle of maximum likelihood
Structure factor probabilities
Amplitude probability distribution
Likelihood-based translation
Translation vs. rotation
Translating oriented molecule
Orientation effect on molecular transform
Orientation effect on structure factor
Rotation function probability distribution
Molecular transform random walk
Levels of approximation for rotation likelihood function: Fourier-Bessel
Levels of approximation for rotation likelihood function: Rice-like
Levels of approximation for rotation likelihood function: Wilson
Rice-like approximation
Why are more molecules difficult?
Calibrating the likelihood functions
Defining an a priori Sigma(A) curve
Implementation of likelihood-based molecular replacement
Rotation tests on Streptomyces griseus trypsin
Translation tests on Streptomyces griseus trypsin
Haloferax volcanii dihydrofolate reductase
DHFR molecular replacement tests
Advantages of likelihood-based molecular replacement
Future work
Email: rjr27@cam.ac.uk
Home Page: http://perch.cimr.cam.ac.uk
Other information: Presentation given at 1999 IUCr meeting in Glasgow. Converted using PowerPoint->HTML option