Dynamic nuclear polarization enhanced neutron crystallography: Amplifying hydrogen in biological crystals

Joshua Pierce; Matthew J. Cuneo; Anna Jennings; Le Li; Flora Meilleur; Jinkui Zhao; Dean A.A. Myles

doi:10.1016/bs.mie.2019.11.018

Dynamic nuclear polarization enhanced neutron crystallography: Amplifying hydrogen in biological crystals

Joshua Pierce, Matthew J. Cuneo, Anna Jennings, Le Li, Flora Meilleur, Jinkui Zhao, Dean A.A. Myles

Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review

10 Scopus citations

Abstract

Dynamic nuclear polarization (DNP) can provide a powerful means to amplify neutron diffraction from biological crystals by 10–100-fold, while simultaneously enhancing the visibility of hydrogen by an order of magnitude. Polarizing the neutron beam and aligning the proton spins in a polarized sample modulates the coherent and incoherent neutron scattering cross-sections of hydrogen, in ideal cases amplifying the coherent scattering by almost an order of magnitude and suppressing the incoherent background to zero. This chapter describes current efforts to develop and apply DNP techniques for spin polarized neutron protein crystallography, highlighting concepts, experimental design, labeling strategies and recent results, as well as considering new strategies for data collection and analysis that these techniques could enable.

Original language	English
Title of host publication	Neutron Crystallography in Structural Biology
Publisher	Academic Press Inc.
Pages	153-175
Number of pages	23
DOIs	https://doi.org/10.1016/bs.mie.2019.11.018
State	Published - 2020

Publication series

Name	Methods in Enzymology
Volume	634
ISSN (Print)	0076-6879
ISSN (Electronic)	1557-7988

Funding

The authors would like to acknowledge the help of the IMAGINE instrument team and support provided by the HFIR in the installation of the DNP system on the IMAGINE beam-line. The Neutron Sciences Directorate Detector group provided the prototype detector and assisted with the data acquisition. The Jefferson Lab Target Group offered insight into the design of the sample space. Research was sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. Research conducted at ORNL's High-Flux Isotope Reactor was sponsored by the US Department of Energy's Office of Basic Energy Sciences, Scientific User Facilities Division. The construction and installation of the IMAGINE beam line was partly supported by NSF grant CHE-0922719.

Funders	Funder number
HFIR
National Science Foundation	CHE-0922719
U.S. Department of Energy	DE-AC05-00OR22725
Basic Energy Sciences
Oak Ridge National Laboratory

Keywords

Dynamic nuclear polarization
Enzyme mechanism
Hydration
Hydrogen
Neutron crystallography
Paramagnetic labels
Structural biology

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10.1016/bs.mie.2019.11.018

Cite this

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title = "Dynamic nuclear polarization enhanced neutron crystallography: Amplifying hydrogen in biological crystals",

abstract = "Dynamic nuclear polarization (DNP) can provide a powerful means to amplify neutron diffraction from biological crystals by 10–100-fold, while simultaneously enhancing the visibility of hydrogen by an order of magnitude. Polarizing the neutron beam and aligning the proton spins in a polarized sample modulates the coherent and incoherent neutron scattering cross-sections of hydrogen, in ideal cases amplifying the coherent scattering by almost an order of magnitude and suppressing the incoherent background to zero. This chapter describes current efforts to develop and apply DNP techniques for spin polarized neutron protein crystallography, highlighting concepts, experimental design, labeling strategies and recent results, as well as considering new strategies for data collection and analysis that these techniques could enable.",

keywords = "Dynamic nuclear polarization, Enzyme mechanism, Hydration, Hydrogen, Neutron crystallography, Paramagnetic labels, Structural biology",

author = "Joshua Pierce and Cuneo, {Matthew J.} and Anna Jennings and Le Li and Flora Meilleur and Jinkui Zhao and Myles, {Dean A.A.}",

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year = "2020",

doi = "10.1016/bs.mie.2019.11.018",

language = "English",

series = "Methods in Enzymology",

publisher = "Academic Press Inc.",

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Dynamic nuclear polarization enhanced neutron crystallography: Amplifying hydrogen in biological crystals. / Pierce, Joshua; Cuneo, Matthew J.; Jennings, Anna et al.
Neutron Crystallography in Structural Biology. Academic Press Inc., 2020. p. 153-175 (Methods in Enzymology; Vol. 634).

Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review

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T1 - Dynamic nuclear polarization enhanced neutron crystallography

T2 - Amplifying hydrogen in biological crystals

AU - Pierce, Joshua

AU - Cuneo, Matthew J.

AU - Jennings, Anna

AU - Li, Le

AU - Meilleur, Flora

AU - Zhao, Jinkui

AU - Myles, Dean A.A.

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KW - Enzyme mechanism

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KW - Hydrogen

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Dynamic nuclear polarization enhanced neutron crystallography: Amplifying hydrogen in biological crystals

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