Joint X-ray/NMR structure refinement of multidomain/multisubunit systems.

ABSTRACT: Data integration in structural biology has become a paradigm for the characterization of biomolecular systems, and it is now accepted that combining different techniques can fill the gaps in each other's blind spots. In this frame, one of the combinations, which we have implemented in REFMAC-NMR, is residual dipolar couplings from NMR together with experimental data from X-ray diffraction. The first are exquisitely sensitive to the local details but does not give any information about overall shape, whereas the latter encodes more the information about the overall shape but at the same time tends to miss the local details even at the highest resolutions. Once crystals are obtained, it is often rather easy to obtain a complete X-ray dataset, however it is time-consuming to obtain an exhaust

SUBMITTER: Carlon A 

PROVIDER: S-EPMC6692505 | biostudies-literature | 2019 Jul

REPOSITORIES: biostudies-literature