De novo determination of internuclear vector orientations from residual dipolar couplings measured in three independent alignment media.

ABSTRACT: The straightforward interpretation of solution state residual dipolar couplings (RDCs) in terms of internuclear vector orientations generally requires prior knowledge of the alignment tensor, which in turn is normally estimated using a structural model. We have developed a protocol which allows the requirement for prior structural knowledge to be dispensed with as long as RDC measurements can be made in three independent alignment media. This approach, called Rigid Structure from Dipolar Couplings (RSDC), allows vector orientations and alignment tensors to be determined de novo from just three independent sets of RDCs. It is shown that complications arising from the existence of multiple solutions can be overcome by careful consideration of alignment tensor magnitudes in addition to the ag

SUBMITTER: Ruan K 

PROVIDER: S-EPMC2861045 | biostudies-literature | 2008 Jun

REPOSITORIES: biostudies-literature