Interactive model building in neutron macromolecular crystallography

Research output: Chapter in Book/Report/Conference proceedingBook chapter

Abstract

This chapter aims to give an overview of the process of interactive model building in macromolecular neutron crystallography for the researcher transitioning from X-ray crystallography alone. The two most popular programs for refinement and model building, phenix.refine and Coot, respectively, are used as examples, and familiarity with the programs is assumed. Some work-arounds currently required for proper communication between the programs are described. We also discuss the appearance of nuclear density maps and how this differs from that of electron density maps. Advice is given to facilitate deposition of jointly refined neutron/X-ray structures in the Protein Data Bank.

Details

Authors
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Research areas and keywords

Subject classification (UKÄ) – MANDATORY

  • Biochemistry and Molecular Biology
  • Structural Biology

Keywords

  • Model building, Model refinement, Neutron macromolecular crystallography, Nuclear density maps, Perdeuterated proteins, Protein Data Bank
Original languageEnglish
Title of host publicationMethods in Enzymology
PublisherAcademic Press
Publication statusE-pub ahead of print - 2019 Dec 20
Publication categoryResearch
Peer-reviewedYes

Publication series

NameMethods in Enzymology
ISSN (Print)0076-6879
ISSN (Electronic)1557-7988