view article
Figure 2
Structure calculation by paramagnetic in-cell NMR. (a) Preparation of a sample of oocytes injected with GB1 tagged with a paramagnetic lanthanide ion. (b) Overlay of in-cell NMR spectra showing signals from GB1 tagged with a diamagnetic (black) and a paramagnetic (red) lanthanide ion; structural restraints are calculated from the paramagnetic effects (PCSs and RDCs). (c) Scatter plot of GPS-Rosetta energy scores and Cα r.m.s.d. of GB1 models calculated with PCS and RDC input data (left) and lowest energy in-cell GB1 models compared with the X-ray structure of GB1 (right). Reprinted (adapted) with permission from Müntener et al. (2016BB44). Copyright (2016) American Chemical Society.

IUCrJ
Volume 4| Part 2| March 2017| Pages 108-118
ISSN: 2052-2525
https://doi.org/10.1107/S2052252516020625