Data collection for crystallographic structure determination

Abstract

Diffraction data measurement is the fi nal experimental step of crystal structure analysis; all subsequent stages are computational. Good-quality data, optimized for a particular application, make the structure solution and refi nement easier and enhance the accuracy of the fi nal models. This chapter describes the principles of the rotation method of data collection and discusses various scenarios that are useful for different types of applications, such as anomalous phasing, molecular replacement, ligand identifi cation, etc. Some typical problems encountered in practice are also discussed.