Unraveling protein catalysis through neutron diffraction

TL;DR

This paper explains how neutron diffraction helps study hydrogen atoms in enzymes, improving understanding of protein structures and reactions.

Contribution

The paper highlights new neutron diffraction techniques and instrumentation developments for detailed protein analysis.

Findings

Neutron diffraction reveals hydrogen atom positions in proteins and water.

New instrumentation at ORNL enhances neutron-based structural biology capabilities.

Abstract

Neutron diffraction provides a sophisticated, non-destructive means for the the atomic-resolution analysis of individual hydrogen atoms in enzymes. Here we describe how the precise location of protein and water hydrogen atoms using neutron diffraction provides a more complete description of the atomic and electronic structures of proteins, enabling key questions concerning enzyme reaction mechanisms, molecular recognition and binding and protein-water interactions to be addressed. We will briefly describe the capabilities that are available for neutron- based structural biology at ORNL, with special focus on the current upgrades and development of new instrumentation and software for neutron protein crystallographic analysis.