Journal Article

FZJ-2015-05065

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Hybrid methods for macromolecular structure determination: experiment with expectations

Schröder, G. (Corresponding author)FZJ*

2015
Elsevier Amsterdam [u.a.]

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Please use a persistent id in citations: doi:10.1016/j.sbi.2015.02.016

Abstract: Studies of large and heterogeneous macromolecules often yield low-resolution data that alone does not suffice to build accurate atomic models. Adding information from molecular simulation or other structure prediction methods can lead to models with significantly better quality. Different strategies are discussed to combine experimental data with results from simulation and prediction. This review describes recent approaches for building atomic models with a focus on X-ray diffraction and single-particle cryo-electron microscopy (cryo-EM) data. In addition, both cryo-EM and X-ray diffraction provide information on molecular dynamics. Therefore, the best description of molecular structures is often by an ensemble of models. It furthermore becomes apparent that using raw data for the modeling ensures that all information obtained by the experiment can be fully exploited. It is also important to quantify the errors of both experiment and simulation to correctly weigh their different contributions.

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Contributing Institute(s):

1. Strukturbiochemie (ICS-6)

Research Program(s):

1. 551 - Functional Macromolecules and Complexes (POF3-551) (POF3-551)

Appears in the scientific report 2015

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Database coverage:
; BIOSIS Previews ; BIOSIS Reviews Reports And Meetings ; Current Contents - Life Sciences ; IF >= 5 ; JCR ; NCBI Molecular Biology Database ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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