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14–17 Mar 2022
Europe/Berlin timezone

Polder maps: Improving OMIT maps for ligand building and validation

14 Mar 2022, 16:30
1h
Invited talk Advances in Methods, Instrumentation and Data Analysis Laue Talk

Speaker

Dorothee Liebschner

Description

In macromolecular crystallography, electron density maps are used to build and validate models. In particular, OMIT maps are commonly used to verify ligands. If the ligand is present, it is expected that the electron density of the ligand will appear as positive features in the OMIT map. However, if the density arising from the omitted atoms is weak, it may be obscured by bulk solvent. The polder map approach prevents bulk solvent from entering OMIT regions, leading to clearer map features.

Primary authors

Dorothee Liebschner Pavel V. Afonine Nigel W. Moriarty Billy K. Poon Oleg Sobolev Paul D. Adams

Presentation materials