This paper reviews the mathematical basis of maximum likelihood. The likelihood function
for macromolecular structures is extended to include prior phase information and …

This paper describes various components of the macromolecular crystallographic
refinement program REFMAC5, which is distributed as part of the CCP4 suite. REFMAC5 …

SIR2011, the successor of SIR2004, is the latest program of the SIR suite. It can solve ab
initio crystal structures of small-and medium-size molecules, as well as protein structures …

X-ray crystallography is an established method for studying the structure of proteins and
other macromolecules. As the importance of proteins grows, researchers in many fields have …

Unrefined or partially refined models of macromolecules are generally incomplete and
typically have large coordinate errors. It is shown that phase probability equations …

With a size of 372 kDa, the F1 ATPase particle is the largest asymmetric structure solved to
date. lsomorphous differences arising from reacting the crystals with methyl-mercury nitrate …

Conformational changes on complex formation have been measured for 39 pairs of
structures of complexed proteins and unbound equivalents, averaged over interface and …

Probability relationships between structure factors from related structures have allowed
previously only for either differences in atomic scattering factors (isomorphous replacement …

The marvel of X-ray crystallography is the beauty and precision of the atomic structures
deduced from diffraction patterns. Since these patterns record only amplitudes, phases for …

The crystallographic diffraction experiment measures Bragg intensities; crystallographic
electron-density maps and other crystallographic calculations in phasing require structure …