Orientation selective DEER measurements on vinculin tail at X-band frequencies reveal spin label orientations

DC FieldValueLanguage
dc.contributor.authorAbe, Christoph
dc.contributor.authorKlose, Daniel
dc.contributor.authorDietrich, Franziska
dc.contributor.authorZiegler, Wolfgang H.
dc.contributor.authorPolyhach, Yevhen
dc.contributor.authorJeschke, Gunnar
dc.contributor.authorSteinhoff, Heinz-Juergen
dc.date.accessioned2021-12-23T16:19:22Z-
dc.date.available2021-12-23T16:19:22Z-
dc.date.issued2012
dc.identifier.issn10907807
dc.identifier.urihttps://osnascholar.ub.uni-osnabrueck.de/handle/unios/13116-
dc.description.abstractDouble electron electron resonance (DEER) spectroscopy has been established as a valuable method to determine distances between spin labels bound to protein molecules. Caused by selective excitation of molecular orientations DEER primary data also depend on the mutual orientation of the spin labels. For a doubly spin labeled variant of the cytoskeletal protein vinculin tail strong orientation selection can be observed already at X-band frequencies, which allows us to reduce the problem to the relative orientation of two molecular axes and the spin-spin axis parameterized by three angles. A full grid search of parameter space reveals that the DEER experiment introduces parameter-space symmetry higher than the symmetry of the spin Hamiltonian. Thus, the number of equivalent parameter sets is twice as large as expected and the relative orientation of the two spin labels is ambiguous. Except for this inherent ambiguity the most probable relative orientation of the two spin labels can be determined with good confidence and moderate uncertainty by global fitting of a set of five DEER experiments at different offsets between pump and observer frequency. The experiment provides restraints on the angles between the z axis of the nitroxide molecular frame and the spin-spin vector and on the dihedral between the two z axes. When using the same type of label at both sites, assignment of the angle restraints is ambiguous and the sign of the dihedral restraint is also ambiguous. (C) 2012 Elsevier Inc. All rights reserved.
dc.language.isoen
dc.publisherACADEMIC PRESS INC ELSEVIER SCIENCE
dc.relation.ispartofJOURNAL OF MAGNETIC RESONANCE
dc.subjectBiochemical Research Methods
dc.subjectBiochemistry & Molecular Biology
dc.subjectBIOMACROMOLECULES
dc.subjectCOMPREHENSIVE SOFTWARE PACKAGE
dc.subjectDISORDERED SOLIDS
dc.subjectDISTANCE MEASUREMENTS
dc.subjectELECTRON-PARAMAGNETIC-RESONANCE
dc.subjectEPR SPECTROSCOPY
dc.subjectNITROXIDE BIRADICALS
dc.subjectOrientation selective DEER
dc.subjectPELDOR
dc.subjectPhysics
dc.subjectPhysics, Atomic, Molecular & Chemical
dc.subjectSITE
dc.subjectSite-directed spin labeling
dc.subjectSpectroscopy
dc.titleOrientation selective DEER measurements on vinculin tail at X-band frequencies reveal spin label orientations
dc.typejournal article
dc.identifier.doi10.1016/j.jmr.2011.12.024
dc.identifier.isiISI:000302338200007
dc.description.volume216
dc.description.startpage53
dc.description.endpage61
dc.contributor.orcid0000-0002-5888-0157
dc.contributor.orcid0000-0003-4529-1916
dc.contributor.orcid0000-0002-3597-0889
dc.contributor.orcid0000-0002-1680-8480
dc.contributor.researcheridH-3791-2014
dc.publisher.place525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
dcterms.isPartOf.abbreviationJ. Magn. Reson.
crisitem.author.deptFB 04 - Physik-
crisitem.author.deptFB 04 - Physik-
crisitem.author.deptidfb04-
crisitem.author.deptidfb04-
crisitem.author.orcid0000-0002-3597-0889-
crisitem.author.parentorgUniversität Osnabrück-
crisitem.author.parentorgUniversität Osnabrück-
crisitem.author.netidKlDa004-
crisitem.author.netidStHe633-
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