Validation of biomacromolecular structures – what have we learned?

Gerard Kleywegt

In the past two decades, many methods have been developed for validating crystallographic models of biomacromolecules. We now have a good idea of how such models should be validated, what the relative merits of various statistics and checks are, and what they tell us about any given model and its ability to explain the experimental data. I will explain why validation is important (for X-ray and other methods), what validation should entail, and how it can be carried out in practice. Hopefully, some of the lessons can be applied to the field of Small-Angle Scattering as well. I will also discuss what wwPDB is doing to address the issue of validation for X-ray, NMR and 3DEM structures in its future Deposition & Annotation software system.

Date/time: Thursday, 18 October 2012, 9:00