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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Cold Spring Harbor Laboratory
2023
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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. |
format | Online Article Text |
id | pubmed-10274731 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | Cold Spring Harbor Laboratory |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT meisburgerstevep processingmacromoleculardiffusescatteringdata AT andonozomi processingmacromoleculardiffusescatteringdata |