Knowledge of protein structure is paramount to the understanding of biological function,
developing new therapeutics, and making detailed mechanistic hypotheses. Therefore …

The number of macromolecular structures deposited in the Protein Data Bank now
approaches 100 000, with the vast majority of them determined by crystallographic methods …

The approaches that form the basis of automated structure solution in SOLVE and
RESOLVE are described. The use of a scoring scheme to convert decision making in …

In this chapter, the data formats and protocols used to represent primary macromolecular
structure data are presented. The historical format used by the Protein Data Bank (PDB) is …

For the successful X-ray structure determination of macromolecules, it is first necessary to
identify, usually by matrix screening, conditions that yield some sort of crystals. Initial crystals …

Motivation: Crystallographers were motivated 10 years ago to develop a simple and
consistent data representation for the exchange and archiving of data associated with the …

Approximately 85% of the structures deposited in the Protein Data Bank have been solved
using X-ray crystallography, making it the leading method for three-dimensional structure …

X-ray crystallography is the predominant source of structural information for biological
macromolecules, providing fundamental insights into biological function. The availability of …

Two user-friendly computer programs are described for use in macromolecular X-ray
crystallography, xdlMAP-MAN provides an interface for electron-density map exchange …

New software tools are introduced to facilitate diffraction experiments involving large
numbers of crystals. While existing programs have long provided a framework for lattice …