The conformation of the monensin-A-sodium complex in solution determined from self-consistent NOE distance...

The structure of the monensin-A-sodium complex in solution in chloroform is determined by means of NOESY experiments and distance-geometry calculations. The information extracted from the NOESY spectra is maximized by estimating errors on cross-peak intensities (D.L. Turner, J. Magn. Reson. A 107, 239 (1994)) which are used in defining upper and lower distance constraints and also for weighting when calculating distance scaling factors. The resulting structure is closely similar to that found in the crystal, with deviations which fall within the range found for different crystal forms.