The Neutron Macromolecular Crystallography Instruments at Oak Ridge National Laboratory: Advances, Challenges, and Opportunities

Meilleur, Flora; Coates, Leighton; Cuneo, Matthew J.; Kovalevskyi, Andrii Y.; Myles, Dean A A

doi:10.3390/cryst8100388

Title: The Neutron Macromolecular Crystallography Instruments at Oak Ridge National Laboratory: Advances, Challenges, and Opportunities

Journal Article · 10 October 2018 · Crystals

DOI: https://doi.org/10.3390/cryst8100388 · OSTI ID:1506773

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Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Scattering Division; North Carolina State Univ., Raleigh, NC (United States). Dept. of Molecular and Structural Biochemistry
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Scattering Division
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Scattering Division; St. Jude Children’s Research Hospital, Memphis, TN (United States). Dept. of Structural Biology

The IMAGINE and MaNDi instruments, located at Oak Ridge National Laboratory High Flux Isotope Reactor and Spallation Neutron Source, respectively, are powerful tools for determining the positions of hydrogen atoms in biological macromolecules and their ligands, orienting water molecules, and for differentiating chemical states in macromolecular structures. The possibility to model hydrogen and deuterium atoms in neutron structures arises from the strong interaction of neutrons with the nuclei of these isotopes. Positions can be unambiguously assigned from diffraction studies at the 1.5–2.5 Å resolutions, which are typical for protein crystals. Neutrons have the additional benefit for structural biology of not inducing radiation damage to protein crystals, which can be critical in the study of metalloproteins. Here we review the specifications of the IMAGINE and MaNDi beamlines and illustrate their complementarity. IMAGINE is suitable for crystals with unit cell edges up to 150 Å using a quasi-Laue technique, whereas MaNDi provides neutron crystallography resources for large unit cell samples with unit cell edges up to 300 Å using the time of flight (TOF) Laue technique. The microbial culture and crystal growth facilities which support the IMAGINE and MaNDi user programs are also described.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1506773

Journal Information:: Crystals, Journal Name: Crystals Journal Issue: 10 Vol. 8; ISSN CRYSBC; ISSN 2073-4352

Publisher:: MDPICopyright Statement

Country of Publication:: United States

Language:: English

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From Initial Hit to Crystal Optimization with Microseeding of Human Carbonic Anhydrase IX—A Case Study for Neutron Protein Crystallography Koruza, Katarina; Lafumat, Bénédicte; Nyblom, Maria Crystals, Vol. 8, Issue 11 https://doi.org/10.3390/cryst8110434	journal	November 2018

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
59 BASIC BIOLOGICAL SCIENCES
Laue diffraction
crystallography
deuteration
hydrogen
macromolecules
neutron
proton

Title: The Neutron Macromolecular Crystallography Instruments at Oak Ridge National Laboratory: Advances, Challenges, and Opportunities

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References (49)

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