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Updated: Apr 19, 2026

Neutron Crystallography Data Collection and Processing for Modelling Hydrogen Atoms in Protein Structures
Published on: December 1, 2020
Perdeuteration: improved visualization of solvent structure in neutron macromolecular crystallography
S J Fisher1, M P Blakeley1, E I Howard2
1Institut Laue-Langevin, 71 Avenue des Martyrs, 38000 Grenoble, France.
Abstract:
The 1.8 Å resolution neutron structure of deuterated type III antifreeze protein in which the methyl groups of leucine and valine residues are selectively protonated is presented. Comparison between this and the 1.85 Å resolution neutron structure of perdeuterated type III antifreeze protein indicates that perdeuteration improves the visibility of solvent molecules located in close vicinity to hydrophobic residues, as cancellation effects between H atoms of the methyl groups and nearby heavy-water molecules (D2O) are avoided.
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