Accurate estimation of inter-atomic distances in large proteins by NMR.

Recently a method was proposed which permits the extraction of the exact interatomic distance information from the measurement of the evolution of a single cross-peak relative to the mixing time in a NOESY experiment. This is performed through a careful multi-exponential analysis allowing the extraction of the relaxation parameter, and, consequently, the inter-proton distance. We investigate in the present paper whether this technique, already evaluated theoretically, can be used in a real experimental case. We have recorded and analyzed a set of 56 NOESY experiments on a lysozyme sample. Some 81 nOe build-up curves obtained from these data were analyzed in terms of distance. It is shown that the correlation between the measured distances and the reference distances obtained from crystallographic studies, is quite good. An accuracy of the order of 10% is obtained.