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RDC measurement for excited state with ¹⁵N TROSY CPMG

Files

You can get the example files from the GitHub ChemEx page.

This example demonstrates the use of CPMG experiment to measure RDC parameters for the excited state. In ¹⁵N TROSY CPMG experiment (cpmg_15n_tr), by analyzing datasets measured for TROSY and anti-TROSY components, the information about ¹⁵N Δϖ for both components can be obtained, therefore RDC parameters for excited state can be derived based on RDC parameters for ground state together with Δϖ of these two components 1.

Note that antitrosy key should be set properly in experiment files to indicate whether the datasets are measured for TROSY or anti-TROSY component. This example also includes datasets measured from pure in-phase CPMG experiment (cpmg_15n_ip), which is optional and may help to obtain even more accurate results. Note that ¹⁵N chemical shifts provided in parameter files should correspond to the "actual" value in the absence of 1JHN, therefore ¹⁵N chemical shifts from pure in-phase experiment should be used instead of the TROSY version.

Footnotes​

  1. P. Vallurupalli, D. F. Hansen, E. Stollar, E. Meirovitch, and L. E. Kay. Measurement of Bond Vector Orientations in Invisible Excited States of Proteins Proc. Natl. Acad. Sci. USA 104, 18473-18477 (2007). https://doi.org/10.1073/pnas.0708296104 ↩