Join us for our monthly live webinar series in which we feature contributing developers demonstrating their software, highlighting new features, and previewing future developments. You'll hear the latest news and have opportunity to ask questions directly relevant to your research. Be sure to subscribe to SBGridTV to receive alerts when we post new recordings and view our full collection of past tutorials.
Up next: PanDDA
December 4th at 12pm EST
Utrecht University, The Netherlands
Nicholas Pearce works on developing novel multi-dataset methods for analysing data arising from macromolecular crystallography experiments. The simultaneous analysis of multiple datasets (as opposed to traditional dataset-by-dataset approaches) allows more detailed information to be extracted than is possible by traditional methods. The project from his PhD, “PanDDA”, was developed to analyse series of crystallographic datasets from fragment screening experiments; in these experiments, the “signal” of a binding ligand is typically weak, and the vast amount of data is time-consuming and error-prone to process using traditional methods. PanDDA offers a statistical approach to identifying “weak features" in the crystallographic electron density, and moreover allows the separation of electron density for partial-occupancy (ligand-bound) states; these two steps combined greatly increase the sensitivity of the analysis, and the confidence in the derived structures. His current work focusses on developing a method for analysing the observed disorder in crystallographic datasets, and making these disorder patterns interpretable as molecular and atomic motions. Nicholas Pearce graduated with an undergraduate Master’s degree in Physics from the University of Oxford in 2012; he subsequently continued with a PhD at the University of Oxford in structural biology, which was completed in 2016/7. He now works as an EMBO post-doctoral fellow at the University of Utrecht with Prof. dr. Piet Gros.
To find out more about PanDDA visit the website for the tutorials, tips, a FAQ and the PanDDA manual or read:
- this Nature publication on the methods and algorithm
- this Acta Crystallographica article on modeling
- or this Structural Dynamics paper describing the kinds of additional structural information that the partial occupancy fragments can reveal
Webinar connection instructions: We are now using BlueJeans to connect for webinars. Connection instructions:
- Call in number: +1.408.740.7256 (United States) or +1.408.317.9253
- You can find international access numbers at https://www.bluejeans.com/numbers
- Download BlueJeans at https://www.bluejeans.com/downloads
Full Webinar Lineup 2018-2019
- October 2: Phenix/DivCon with Lance Westerhoff - XModeScore: using crystallography to determine protonation states, fragment binding modes, and flip-states.
- November 6: Relion 3.0 with Sjors Scheres - RELION-3: new tools for automated high-resolution cryo-EM structure determination
- December 4: PanDDA with Nicholas Pearce
- January 22: DENSS with Thomas Grant
- February 26: TOPAZ with Tristan Bepler
- April 9: TomoAlign with Jose-Jesus Fernandez:
- May 7: crYOLO with Thorsten Wagner: