Interactive model building in neutron macromolecular crystallography
(2020) In Methods in Enzymology 634. p.201-224- 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.
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https://lup.lub.lu.se/record/0b28888d-aa69-4dff-bf8e-b82e26056702
- author
- Logan, Derek T. LU
- organization
- publishing date
- 2020
- type
- Chapter in Book/Report/Conference proceeding
- publication status
- published
- subject
- keywords
- Model building, Model refinement, Neutron macromolecular crystallography, Nuclear density maps, Perdeuterated proteins, Protein Data Bank
- host publication
- Methods in Enzymology
- series title
- Methods in Enzymology
- editor
- Moody, Peter C.E.
- volume
- 634
- pages
- 24 pages
- publisher
- Academic Press
- external identifiers
-
- pmid:32093833
- scopus:85076852480
- ISSN
- 0076-6879
- 1557-7988
- ISBN
- 978-0-12-819214-6
- DOI
- 10.1016/bs.mie.2019.11.017
- language
- English
- LU publication?
- yes
- id
- 0b28888d-aa69-4dff-bf8e-b82e26056702
- date added to LUP
- 2020-01-14 13:23:47
- date last changed
- 2024-08-21 13:58:28
@inbook{0b28888d-aa69-4dff-bf8e-b82e26056702, abstract = {{<p>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.</p>}}, author = {{Logan, Derek T.}}, booktitle = {{Methods in Enzymology}}, editor = {{Moody, Peter C.E.}}, isbn = {{978-0-12-819214-6}}, issn = {{0076-6879}}, keywords = {{Model building; Model refinement; Neutron macromolecular crystallography; Nuclear density maps; Perdeuterated proteins; Protein Data Bank}}, language = {{eng}}, pages = {{201--224}}, publisher = {{Academic Press}}, series = {{Methods in Enzymology}}, title = {{Interactive model building in neutron macromolecular crystallography}}, url = {{http://dx.doi.org/10.1016/bs.mie.2019.11.017}}, doi = {{10.1016/bs.mie.2019.11.017}}, volume = {{634}}, year = {{2020}}, }