Interactive model building in neutron macromolecular crystallography

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Interactive model building in neutron macromolecular crystallography. / Logan, Derek T.

Methods in Enzymology. Academic Press, 2019. (Methods in Enzymology).

Forskningsoutput: Kapitel i bok/rapport/Conference proceedingKapitel samlingsverk

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Logan, Derek T. / Interactive model building in neutron macromolecular crystallography. Methods in Enzymology. Academic Press, 2019. (Methods in Enzymology).

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TY - CHAP

T1 - Interactive model building in neutron macromolecular crystallography

AU - Logan, Derek T.

PY - 2019/12/20

Y1 - 2019/12/20

N2 - 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.

AB - 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.

KW - Model building

KW - Model refinement

KW - Neutron macromolecular crystallography

KW - Nuclear density maps

KW - Perdeuterated proteins

KW - Protein Data Bank

U2 - 10.1016/bs.mie.2019.11.017

DO - 10.1016/bs.mie.2019.11.017

M3 - Book chapter

T3 - Methods in Enzymology

BT - Methods in Enzymology

PB - Academic Press

ER -