ArticleJournal of synchrotron radiation2017
Development of tools to automate quantitative analysis of radiation damage in SAXS experiments.
Article in Journal of synchrotron radiation, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 20 papers.
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Who cites it
20 citing papers in PubMed.
- Assessing protein-specific radiation damage in time-resolved X-ray solution-scattering experiments at high-brilliance synchrotrons using fast detector readout.Acta crystallographica. Section D, Structural biology · 2026Article
- The Impact of X-ray Damage in Chemical Crystalline Materials and New Opportunities for Small Molecule Serial Crystallography.Chemistry (Weinheim an der Bergstrasse, Germany) · 2025Review
- AF4-to-SAXS: expanded characterization of nanoparticles and proteins at the P12 BioSAXS beamline.Journal of synchrotron radiation · 2025Article
- Doses for X-ray and electron diffraction: New features in RADDOSE-3D including intensity decay models.Protein science : a publication of the Protein Society · 2024Article
- Adaptable SEC-SAXS data collection for higher quality structure analysis in solution.Protein science : a publication of the Protein Society · 2024Article
- Lattice response to the radiation damage of molecular crystals: radiation-induced versus thermal expansivity.Acta crystallographica Section B, Structural science, crystal engineering and materials · 2024Article
- Variability in X-ray induced effects in [Rh(COD)Cl]Physical chemistry chemical physics : PCCP · 2022Article
- SAXS measurements of azobenzene lipid vesicles reveal buffer-dependent photoswitching and quantitativeNanophotonics (Berlin, Germany) · 2022Article
- A setup for millisecond time-resolved X-ray solution scattering experiments at the CoSAXS beamline at the MAX IV Laboratory.Journal of synchrotron radiation · 2022Article
- A SAXS-based approach to rationally evaluate radical scavengers - toward eliminating radiation damage in solution and crystallographic studies.Journal of synchrotron radiation · 2021Article
- Radiation damage to biological samples: still a pertinent issue.Journal of synchrotron radiation · 2021Article
- Tools for supporting solution scattering during the COVID-19 pandemic.Journal of synchrotron radiation · 2021Article
- Negative X-ray expansion in cadmium cyanide.Materials horizons · 2021Article
- XANES Measurements for Studies of Adsorbed Protein Layers at Liquid Interfaces.Materials (Basel, Switzerland) · 2020Article
- SAXS studies of X-ray induced disulfide bond damage: Engineering high-resolution insight from a low-resolution technique.PloS one · 2020Article
- Structural consequences of transforming growth factor beta-1 activation from near-therapeutic X-ray doses.Journal of synchrotron radiation · 2019Article
- The domain swapping of human cystatin C induced by synchrotron radiation.Scientific reports · 2019Article
- Smaller capillaries improve the small-angle X-ray scattering signal and sample consumption for biomacromolecular solutions.Journal of synchrotron radiation · 2018Article
- A Small-Angle Neutron Scattering Environment for In-Situ Observation of Chemical Processes.Scientific reports · 2018Article
- Estimate your dose: RADDOSE-3D.Protein science : a publication of the Protein Society · 2018Article
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Authors and funding
7 authors.
Funding
Abstract
Biological small-angle X-ray scattering (SAXS) is an increasingly popular technique used to obtain nanoscale structural information on macromolecules in solution. However, radiation damage to the samples limits the amount of useful data that can be collected from a single sample. In contrast to the extensive analytical resources available for macromolecular crystallography (MX), there are relatively few tools to quantitate radiation damage for SAXS, some of which require a significant level of manual characterization, with the potential of leading to conflicting results from different studies. Here, computational tools have been developed to automate and standardize radiation damage analysis for SAXS data. RADDOSE-3D, a dose calculation software utility originally written for MX experiments, has been extended to account for the cylindrical geometry of the capillary tube, the liquid composition of the sample and the attenuation of the beam by the capillary material to allow doses to be calculated for many SAXS experiments. Furthermore, a library has been written to visualize and explore the pairwise similarity of frames. The calculated dose for the frame at which three subsequent frames are determined to be dissimilar is defined as the radiation damage onset threshold (RDOT). Analysis of RDOTs has been used to compare the efficacy of radioprotectant compounds to extend the useful lifetime of SAXS samples. Comparison of the RDOTs shows that, for radioprotectant compounds at 5 and 10 mM concentration, glycerol is the most effective compound. However, at 1 and 2 mM concentrations, dithiothreitol (DTT) appears to be most effective. Our newly developed visualization library contains methods that highlight the unusual radiation damage results given by SAXS data collected using higher concentrations of DTT: these observations should pave the way to the development of more sophisticated frame merging strategies.
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