ArticleActa crystallographica. Section D, Biological crystallography2015
Challenges and solutions for the analysis of in situ, in crystallo micro-spectrophotometric data.
Article in Acta crystallographica. Section D, Biological crystallography, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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14 citing papers in PubMed.
- Mapping the effects of specific radiation damage and solvent radiolysis in buffers and crystals with online UV-Vis absorption spectroscopy.Acta crystallographica. Section D, Structural biology · 2026Article
- Crystallise, poise, capture: a multimodal platform for correlated structural and spectroscopic characterisation of redox enzymes.Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry · 2026Article
- TheJournal of applied crystallography · 2025Article
- Capturing structural intermediates in an animal-like cryptochrome photoreceptor by time-resolved crystallography.Science advances · 2025Article
- Mapping cellular stress and lipid dysregulation in Alzheimer-related progressive neurodegeneration using label-free Raman microscopy.Communications biology · 2024Article
- A database overview of metal-coordination distances in metalloproteins.Acta crystallographica. Section D, Structural biology · 2024Article
- Combining on-line spectroscopy with synchrotron and X-ray free electron laser crystallography.Current opinion in structural biology · 2023Review
- Trapping and structural characterisation of a covalent intermediate in vitamin BRSC chemical biology · 2022Article
- Serial synchrotron and XFEL crystallography for studies of metalloprotein catalysis.Current opinion in structural biology · 2021Review
- Choosing the optimal spectroscopic toolkit to understand protein function.Bioscience reports · 2017Article
- Article
- Engineering proximalChemical science · 2017Article
- Combining X-ray and neutron crystallography with spectroscopy.Acta crystallographica. Section D, Structural biology · 2017Article
- Hydrogen bonding of the dissociated histidine ligand is not required for formation of a proximal NO adduct in cytochrome c'.Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry · 2015Article
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Abstract
Combining macromolecular crystallography with in crystallo micro-spectrophotometry yields valuable complementary information on the sample, including the redox states of metal cofactors, the identification of bound ligands and the onset and strength of undesired photochemistry, also known as radiation damage. However, the analysis and processing of the resulting data differs significantly from the approaches used for solution spectrophotometric data. The varying size and shape of the sample, together with the suboptimal sample environment, the lack of proper reference signals and the general influence of the X-ray beam on the sample have to be considered and carefully corrected for. In the present article, how to characterize and treat these sample-dependent artefacts in a reproducible manner is discussed and the SLS-APE in situ, in crystallo optical spectroscopy data-analysis toolbox is demonstrated.
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