Neutron protein crystallography: A complementary tool for locating hydrogens in proteins

Neutron protein crystallography is a powerful tool for investigating protein chemistry because it directly locates hydrogen atom positions in a protein structure. The visibility of hydrogen and deuterium atoms arises from the strong interaction of neutrons with the nuclei of these isotopes. Position...

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Bibliographic Details
Published in:Archives of biochemistry and biophysics 2016-07, Vol.602 (C), p.48-60
Main Authors: O'Dell, William B., Bodenheimer, Annette M., Meilleur, Flora
Format: Article
Language:English
Subjects:
Computer Simulation
Crystallization - methods
Crystallography
Enzyme
Hydrogen
Hydrogen - analysis
Hydrogen - chemistry
Models, Chemical
Models, Molecular
Neutron
Neutron Diffraction - methods
Protein Conformation
Proteins - chemistry
Proteins - ultrastructure
Protonation
Water
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Summary:Neutron protein crystallography is a powerful tool for investigating protein chemistry because it directly locates hydrogen atom positions in a protein structure. The visibility of hydrogen and deuterium atoms arises from the strong interaction of neutrons with the nuclei of these isotopes. Positions can be unambiguously assigned from diffraction at resolutions typical of protein crystals. Neutrons have the additional benefit to structural biology of not inducing radiation damage in protein crystals. The same crystal could be measured multiple times for parametric studies. Here, we review the basic principles of neutron protein crystallography. The information that can be gained from a neutron structure is presented in balance with practical considerations. Methods to produce isotopically-substituted proteins and to grow large crystals are provided in the context of neutron structures reported in the literature. Available instruments for data collection and software for data processing and structure refinement are described along with technique-specific strategies including joint X-ray/neutron structure refinement. Examples are given to illustrate, ultimately, the unique scientific value of neutron protein crystal structures. •Hydrogen atoms are central to enzyme chemistry.•Neutron protein crystallography (NPC) locates hydrogen atoms in protein structures.•NPC is a powerful tool for investigating enzyme chemistry.
ISSN:0003-9861
1096-0384
DOI:10.1016/j.abb.2015.11.033