Publication Date:
2005-11-12
Description:
This paper describes the design criteria, calculations and simulations for a high-resolution macromolecular neutron diffractometer (MaNDi) for the Spallation Neutron Source (SNS). MaNDi is optimized to achieve 1.5 Å resolution from crystals of 0.1–1 mm3with lattice repeats in the range of 150 Å. It was determined that locating MaNDi on a decoupled hydrogen moderator beamline with a curved guide will provide data of higher resolution and higher signal-to-noise than a coupled hydrogen moderator at the SNS. In addition, for an instrument with an initial flight path of 24 m at the 60 Hz source and a wavelength bandwidth of Δλ≃ 2.7 Å, bandwidth selection disk choppers can shift the wavelength range higher or lower for different experiments. With a wavelength range of 1.5–4.2 Å anddmin= 2.0 Å, simulations predict experiment duration times of 1–7 d, which is expected to revolutionize neutron macromolecular crystallography (NMC) for applications in the fields of structural biology, enzymology and computational chemistry.
Print ISSN:
0021-8898
Electronic ISSN:
1600-5767
Topics:
Geosciences
,
Physics
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