Testing the Validity of Models to Describe the Protein Dynamics from EFWS data

DOI

Zaccai et al. proposed to build up a neutron Dynamics Data Bank which would be populated with dynamical data of biological macromolecules measured with different techniques, neutron scattering, MD simulations and NMR. The aim is to find trends towards a global picture of the dynamics of biomolecules. However, there still exist large gaps between simulations and experiments, but also questions about how to systematically analyse the scattering data to be compared with simulations. We have chosen a simple protein, alpha-lactalbumin, to test the validity of several models when fitting elastic fixed window scan data to obtain mean square displacements, as a function of hydration and as a function of Ca additive. Fits to initial data from three spectrometers of varying resolution have surfaced some issues one of which is the need for low Q data, for which we are missing data.

Identifier
DOI https://doi.org/10.5286/ISIS.E.89608287
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/89608287
Provenance
Creator Professor Judith Peters; Dr Victoria Garcia Sakai; Mr Dominik Zeller
Publisher ISIS Neutron and Muon Source
Publication Year 2020
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Biology; Biomaterials; Engineering Sciences; Life Sciences; Materials Science; Materials Science and Engineering; Natural Sciences; Physics
Temporal Coverage Begin 2017-11-24T09:00:00Z
Temporal Coverage End 2017-11-29T10:02:51Z