![]() Thus, knowing the extent of overlap can be a predictor of the resulting structural accuracy. ![]() The chemical shift spectral overlap depends strongly on the corresponding spectral digital resolution. We show that high resolution is equally important for proteins of every molecular size. In addition, we monitored also the number of assigned NOESY cross peaks, the average signal sensitivity, and the chemical shift spectral overlap. The structural accuracy was assessed by atomic coordinate RMSD values from the reference structures of the proteins. Structure calculations were performed as a function of digital resolution for about 400 proteins with molecular sizes ranging between 5 and 33 kDa. We developed a method utilizing non-uniform sampling for balancing digital resolution and signal sensitivity, and performed a large-scale analysis of the effect of the digital resolution on the accuracy of the resulting protein structures. Achieving maximum digital resolution is usually limited by the practically available measurement time. The prime objective for obtaining high digital resolution is to resolve peak overlap, especially in NOESY spectra with thousands of signals where the signal analysis needs to be performed on a large scale. Adequate digital resolution and signal sensitivity are two critical factors for protein structure determinations by solution NMR spectroscopy.
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