Processing macromolecular diffuse scattering data.
Data processing
Diffuse scattering
Reciprocal space mapping
Software
Tutorial
X-ray diffraction
Journal
Methods in enzymology
ISSN: 1557-7988
Titre abrégé: Methods Enzymol
Pays: United States
ID NLM: 0212271
Informations de publication
Date de publication:
2023
2023
Historique:
medline:
27
9
2023
pubmed:
26
9
2023
entrez:
25
9
2023
Statut:
ppublish
Résumé
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.
Identifiants
pubmed: 37748832
pii: S0076-6879(23)00215-X
doi: 10.1016/bs.mie.2023.06.010
pii:
doi:
Substances chimiques
Macromolecular Substances
0
Types de publication
Journal Article
Research Support, N.I.H., Extramural
Research Support, Non-U.S. Gov't
Research Support, U.S. Gov't, Non-P.H.S.
Langues
eng
Sous-ensembles de citation
IM
Pagination
43-86Subventions
Organisme : NIGMS NIH HHS
ID : P30 GM124166
Pays : United States
Commentaires et corrections
Type : UpdateOf
Informations de copyright
Copyright © 2023. Published by Elsevier Inc.