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Processing macromolecular diffuse scattering data

Diffuse scattering is a powerful technique to study disorder and dynamics of macromolecules at atomic resolution. Although diffuse scattering is always present in diffraction images from macromolecular crystals, the signal is weak compared with Bragg peaks and background, making it a challenge to vi...

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Detalles Bibliográficos
Autores principales: Meisburger, Steve P., Ando, Nozomi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Cold Spring Harbor Laboratory 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10274731/
https://www.ncbi.nlm.nih.gov/pubmed/37333125
http://dx.doi.org/10.1101/2023.06.04.543637
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author Meisburger, Steve P.
Ando, Nozomi
author_facet Meisburger, Steve P.
Ando, Nozomi
author_sort Meisburger, Steve P.
collection PubMed
description Diffuse scattering is a powerful technique to study disorder and dynamics of macromolecules at atomic resolution. Although diffuse scattering is always present in diffraction images from macromolecular crystals, the signal is weak compared with Bragg peaks and background, making it a challenge to visualize and measure accurately. Recently, this challenge has been addressed using the reciprocal space mapping technique, which leverages ideal properties of modern X-ray detectors to reconstruct the complete three-dimensional volume of continuous diffraction from diffraction images of a crystal (or crystals) in many different orientations. This chapter will review recent progress in reciprocal space mapping with a particular focus on the strategy implemented in the mdx-lib and mdx2 software packages. The chapter concludes with an introductory data processing tutorial using Python packages DIALS, NeXpy, and mdx2.
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spelling pubmed-102747312023-06-17 Processing macromolecular diffuse scattering data Meisburger, Steve P. Ando, Nozomi bioRxiv Article Diffuse scattering is a powerful technique to study disorder and dynamics of macromolecules at atomic resolution. Although diffuse scattering is always present in diffraction images from macromolecular crystals, the signal is weak compared with Bragg peaks and background, making it a challenge to visualize and measure accurately. Recently, this challenge has been addressed using the reciprocal space mapping technique, which leverages ideal properties of modern X-ray detectors to reconstruct the complete three-dimensional volume of continuous diffraction from diffraction images of a crystal (or crystals) in many different orientations. This chapter will review recent progress in reciprocal space mapping with a particular focus on the strategy implemented in the mdx-lib and mdx2 software packages. The chapter concludes with an introductory data processing tutorial using Python packages DIALS, NeXpy, and mdx2. Cold Spring Harbor Laboratory 2023-06-06 /pmc/articles/PMC10274731/ /pubmed/37333125 http://dx.doi.org/10.1101/2023.06.04.543637 Text en https://creativecommons.org/licenses/by-nc-nd/4.0/This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License (https://creativecommons.org/licenses/by-nc-nd/4.0/) , which allows reusers to copy and distribute the material in any medium or format in unadapted form only, for noncommercial purposes only, and only so long as attribution is given to the creator.
spellingShingle Article
Meisburger, Steve P.
Ando, Nozomi
Processing macromolecular diffuse scattering data
title Processing macromolecular diffuse scattering data
title_full Processing macromolecular diffuse scattering data
title_fullStr Processing macromolecular diffuse scattering data
title_full_unstemmed Processing macromolecular diffuse scattering data
title_short Processing macromolecular diffuse scattering data
title_sort processing macromolecular diffuse scattering data
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10274731/
https://www.ncbi.nlm.nih.gov/pubmed/37333125
http://dx.doi.org/10.1101/2023.06.04.543637
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