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- Logan, Derek T.Lund University,Lunds universitet,Biokemi och Strukturbiologi,Centrum för Molekylär Proteinvetenskap,Kemiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Biochemistry and Structural Biology,Center for Molecular Protein Science,Department of Chemistry,Departments at LTH,Faculty of Engineering, LTH (author)
Interactive model building in neutron macromolecular crystallography
- Article/chapterEnglish2020
Publisher, publication year, extent ...
- Elsevier,2020
- 24 s.
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- LIBRIS-ID:oai:lup.lub.lu.se:0b28888d-aa69-4dff-bf8e-b82e26056702
- https://lup.lub.lu.se/record/0b28888d-aa69-4dff-bf8e-b82e26056702URI
- https://doi.org/10.1016/bs.mie.2019.11.017DOI
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- Language:English
- Summary in:English
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- 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.
Subject headings and genre
- NATURVETENSKAP Biologi Biokemi och molekylärbiologi hsv//swe
- NATURAL SCIENCES Biological Sciences Biochemistry and Molecular Biology hsv//eng
- NATURVETENSKAP Biologi Strukturbiologi hsv//swe
- NATURAL SCIENCES Biological Sciences Structural Biology hsv//eng
- Model building
- Model refinement
- Neutron macromolecular crystallography
- Nuclear density maps
- Perdeuterated proteins
- Protein Data Bank
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- Moody, Peter C.E. (editor)
- Biokemi och StrukturbiologiCentrum för Molekylär Proteinvetenskap (creator_code:org_t)
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- In:Methods in Enzymology: Elsevier634, s. 201-2241557-79880076-68799780128192146
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