Validation of protein structures derived by NMR spectroscopy

Chris A.E.M. Spronk, Sander B. Nabuurs, Elmar Krieger, Gert Vriend, Geerten W. Vuister (2004)
Progress in Nuclear Magnetic Resonance Spectroscopy 45 (2004) 315–337

Abstract

In this review we will discuss both traditional and more recent methods that are commonly used to address the quality of NMR derived structure models. We have chosen to follow the main steps in a typical NMR structure determination project. In doing so, a brief introduction on NMR structure calculation and selection procedures is given, followed by validation in terms of experimental data and an assessment of the precision and accuracy of structure models. A major part of this review is dedicated to validation of the overall geometric quality of NMR structures, which is based on comparison to high-resolution X-ray structures. All aspects of structure validation are illustrated in detail using selected actual examples.

Link to resource: http://www.sciencedirect.com/science/article/pii/S0079656504000500