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X-ray diffraction or XRD is an analytical tool that utilizes X-rays to study ordered structures such as crystalline organic and inorganic samples, polycrystalline materials, proteins, carbohydrates, and drugs.
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Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene
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Destruction-and-diffraction by X-ray free-electron laser.

Jimin Wang1

  • 1Department of Molecular Biophysics and Biochemistry, Yale University, Connecticut 06520, New Haven.

Protein Science : a Publication of the Protein Society
|June 5, 2016
PubMed
Summary
This summary is machine-generated.

X-ray free-electron lasers (XFEL) may still cause radiation damage to macromolecular crystals, contrary to prior assumptions. New experimental evidence confirms theoretical predictions of significant atomic scattering factor reduction during XFEL pulses.

Keywords:
XFELatomic scattering factorscytochrome c oxidasecytochrome c peroxidasemetalloproteinsphotosystem IIradiation damage

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Area of Science:

  • Crystallography
  • X-ray Science
  • Materials Science

Background:

  • Macromolecular crystals are susceptible to X-ray radiation damage during conventional data collection.
  • X-ray free-electron lasers (XFEL) were thought to overcome this by using a "diffraction-before-destruction" approach.
  • This method involves collecting data from numerous crystals, each exposed to a single, ultrashort pulse.

Purpose of the Study:

  • To investigate whether XFEL data collection is truly unaffected by radiation damage.
  • To experimentally validate theoretical predictions regarding electronic processes during XFEL pulses.
  • To assess the impact of radiation on atomic scattering factors in XFEL experiments.

Main Methods:

  • Theoretical modeling of elemental electronic processes during XFEL pulses.
  • Experimental validation of predicted changes in atomic scattering factor amplitudes.
  • Analysis of radiation damage effects on crystals exposed to femtosecond X-ray pulses.

Main Results:

  • Experimental evidence supports theoretical predictions of significant radiation damage.
  • Atomic scattering factor amplitudes can be reduced by up to 75% within the first 5 femtoseconds of an XFEL pulse.
  • Different atoms exhibit distinct responses to X-ray exposure during the pulse.

Conclusions:

  • The "diffraction-before-destruction" paradigm for XFEL crystallography may be challenged by rapid radiation damage.
  • Understanding and mitigating these early-pulse damage effects is crucial for accurate XFEL data interpretation.
  • Further research is needed to fully characterize and potentially overcome XFEL-induced crystal damage.