ArticleActa crystallographica. Section D, Structural biology2020
Towards the spatial resolution of metalloprotein charge states by detailed modeling of XFEL crystallographic diffraction.
Article in Acta crystallographica. Section D, Structural biology, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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Who cites it
15 citing papers in PubMed, 23 citations in OpenAlex.
- Article
- The Untangle Challenge for accurate ensemble models.bioRxiv : the preprint server for biology · 2026Article
- Laue-DIALS: Open-source software for polychromatic x-ray diffraction data.Structural dynamics (Melville, N.Y.) · 2024Article
- Innovative Strategies in X-ray Crystallography for Exploring Structural Dynamics and Reaction Mechanisms in Metabolic Disorders.Journal of personalized medicine · 2024Review
- Laue-DIALS: open-source software for polychromatic X-ray diffraction data.bioRxiv : the preprint server for biology · 2024Article
- Real-Time XFEL Data Analysis at SLAC and NERSC: a Trial Run of Nascent Exascale Experimental Data Analysis.Concurrency and computation : practice & experience · 2024Article
- Deep residual networks for crystallography trained on synthetic data.Acta crystallographica. Section D, Structural biology · 2024Article
- ExaFEL: extreme-scale real-time data processing for X-ray free electron laser science.Frontiers in high performance computing · 2024Article
- Interpreting macromolecular diffraction through simulation.Methods in enzymology · 2023Article
- Serial synchrotron and XFEL crystallography for studies of metalloprotein catalysis.Current opinion in structural biology · 2021Review
- Resonant X-ray emission spectroscopy from broadband stochastic pulses at an X-ray free electron laser.Communications chemistry · 2021Article
- Dynamic Structural Biology Experiments at XFEL or Synchrotron Sources.Methods in molecular biology (Clifton, N.J.) · 2021Review
- Beyond integration: modeling every pixel to obtain better structure factors from stills.IUCrJ · 2020Article
- Article
- Advances in methods for atomic resolution macromolecular structure determination.F1000Research · 2020Review
Corrections and comments
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Authors and funding
4 authors at 1 institution in 1 country.
Funding
Abstract
Oxidation states of individual metal atoms within a metalloprotein can be assigned by examining X-ray absorption edges, which shift to higher energy for progressively more positive valence numbers. Indeed, X-ray crystallography is well suited for such a measurement, owing to its ability to spatially resolve the scattering contributions of individual metal atoms that have distinct electronic environments contributing to protein function. However, as the magnitude of the shift is quite small, about +2 eV per valence state for iron, it has only been possible to measure the effect when performed with monochromated X-ray sources at synchrotron facilities with energy resolutions in the range 2-3 × 10
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