Helmholtz Zentrum Berlin 1 article published in JoVE Biochemistry Workflow and Tools for Crystallographic Fragment Screening at the Helmholtz-Zentrum Berlin Jan Wollenhaupt1, Tatjana Barthel1,2, Gustavo M. A. Lima3, Alexander Metz4, Dirk Wallacher5, Elmir Jagudin3, Franziska U. Huschmann1,4, Thomas Hauß1, Christian G. Feiler1, Martin Gerlach1, Michael Hellmig1, Ronald Förster1, Michael Steffien1, Andreas Heine4, Gerhard Klebe4, Uwe Mueller1, Manfred S. Weiss1 1Macromolecular Crystallography, Helmholtz-Zentrum Berlin, 2Structural Biochemistry Group, Institute for Chemistry and Biochemistry, Freie Universität Berlin, 3BioMAX, MAX IV Laboratory, 4Drug Design Group, Institute of Pharmaceutical Chemistry, Philipps-Universität Marburg, 5Department Sample Environment, Helmholtz-Zentrum Berlin Crystallographic fragment screening at the Helmholtz-Zentrum Berlin is performed using a workflow with dedicated compound libraries, crystal handling tools, fast data collection facilities and largely automated data analysis. The presented protocol intends to maximize the output of such experiments to provide promising starting points for downstream structure-based ligand design.
