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The X-ray crystallography phase problem solved thanks to AlphaFold and RoseTTAFold models: a case-study report.

Irène Barbarin-Bocahu1, Marc Graille1

  • 1Laboratoire de Biologie Structurale de la Cellule (BIOC), CNRS, Ecole Polytechnique, Institut Polytechnique de Paris, F-91128 Palaiseau, France.

Acta Crystallographica. Section D, Structural Biology
|March 30, 2023
PubMed
Summary

A correction is issued for a figure in a 2022 Acta Crystallographica D article by Barbarin-Bocahu & Graille. This ensures accurate representation of crystallographic data in scientific literature.

Keywords:
AlphaFoldcorrigendummachine-learning 3D modelsmolecular replacementphase problemstructural biology

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X-ray Crystallography02:18

X-ray Crystallography

The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
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