Evaluation of errors of interproton distances and correlation time determined from NMR cross-relaxation rates

Carla Isernia, Livio Paolillo, Ernesto Russo, Annalisa Pastore, Giancarlo Zanotti, Slobodan Macura

Research output: Contribution to journalArticle

7 Scopus citations

Abstract

We have analyzed a combined use of the two-dimensional nuclear Overhauser effect in the laboratory frame (NOESY) and in the rotating frame (ROESY) to determine interproton distances and correlation time in medium-sized rigid molecules (Davis, 1987). This method can be applied in the intermediate motional regime, 0.2 < ωoτc, < 5, (τc, correlation time, (ωo resonance frequency). Error limits depend on the motional regime and are smallest near ωoτc=1.14. The method was tested on six geminal proton pairs in the bicyclic octapeptide (S-deoxo-γ-[R]-OH-Ile3 amaninamide, Mw =870) for which at 297 K in DMSO, a correlation time of 1.0 ns, with a standard deviation of 0.12 ns, and an interproton distance of 1.87 Å, with standard deviation of 0.04 Å, are obtained.

Original languageEnglish (US)
Pages (from-to)573-582
Number of pages10
JournalJournal of Biomolecular NMR
Volume2
Issue number6
DOIs
StatePublished - Nov 1992

Keywords

  • 2D NMR
  • Amaninamide
  • Correlation time
  • Cross-relaxation
  • Evaluation of errors
  • Interproton distances
  • NOESY
  • Peptides
  • ROESY

ASJC Scopus subject areas

  • Biochemistry
  • Spectroscopy

Fingerprint Dive into the research topics of 'Evaluation of errors of interproton distances and correlation time determined from NMR cross-relaxation rates'. Together they form a unique fingerprint.

  • Cite this