Comprehensive model for X-ray-induced damage in protein crystallography

Acquisition of X-ray crystallographic data is always accompanied by structural degradation owing to the absorption of energy. The application of high-fluency X-ray sources to large biomolecules has increased the importance of finding ways to curtail the onset of X-ray-induced damage. A significant effort has been under way with the aim of identifying strategies for protecting protein structure. A comprehensive model is presented that has the potential to explain, both qualitatively and quantitatively, the structural changes induced in crystalline protein at ∼ 100   K. The first step is to consider the qualitative question: what are the radiation-induced intermediates and expected end products? The aim of this paper is to assist in optimizing these strategies through a fundamental understanding of radiation physics and chemistry, with additional insight provided by theoretical calculations performed on the many schemes presented.

Source: Journal of Synchrotron Radiation - May 23, 2019 Category: Physics Authors: Close, D.M. Bernhard, W.A. Tags: X-ray radiation damage free-radical radiation chemistry macromolecular crystallography DFT calculations amino-acid side chains research papers Source Type: research