Perdeuteration: improved visualization of solvent structure in neutron macromolecular crystallography. (1st December 2014)

• Record Type: Journal Article
• Authors: Fisher, S. J.; Blakeley, M. P.; Howard, E. I.; Petit‐Haertlein, I.; Haertlein, M.; Mitschler, A.; Cousido‐Siah, A.; Salvay, A. G.; Popov, A.; Muller‐Dieckmann, C.; Petrova, T.; Podjarny, A.
• Is Part Of: Acta crystallographica. Volume 70:Part 12(2014:Dec.)
• Page Start: 3266
• Page End: 3272
• Publication Date: 2014-12-01
• Subjects: Biomolecules -- Structure -- Periodicals; Physical biochemistry -- Periodicals; X-ray crystallography -- Periodicals; Crystallography -- Periodicals; 572
• DOI: 10.1107/S1399004714021610
• Languages: English
• ISSNs: 0907-4449

Abstract

<abstract abstract-type="main" xml:lang="en"> <title> <x xml:space="preserve">Abstract</x> </title> <p>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.</p> </abstract>