Journal
PROTEIN SCIENCE
Volume 27, Issue 1, Pages 217-228Publisher
WILEY
DOI: 10.1002/pro.3302
Keywords
dose; radiation damage; beam profile; absorption coefficients; diffraction weighted dose
Categories
Funding
- Engineering and Physical Sciences Research Council [EP/G03706X/1]
- Biotechnology and Biological Sciences Research Council, Doctoral Training Partnership, Oxford University
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We present the current status of RADDOSE-3D, a software tool allowing the estimation of the dose absorbed in a macromolecular crystallography diffraction experiment. The code allows a temporal and spatial dose contour map to be calculated for a crystal of any geometry and size as it is rotated in an X-ray beam, and gives several summary dose values: among them diffraction weighted dose. This allows experimenters to plan data collections which will minimize radiation damage effects by spreading the absorbed dose more homogeneously, and thus to optimize the use of their crystals. It also allows quantitative comparisons between different radiation damage studies, giving a universal x-axis against which to plot various metrics.
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