FragMAX is a dedicated platform for crystallographic fragment screening at MAX IV, supporting academic and industrial users with robust, high-throughput workflows to identify fragment hits for structure-based drug discovery and chemical biology.
The FragMAX crystal preparation lab.
The FragMAX facility supports crystallographic fragment and ligand screening at MAX IV Laboratory, enabling the rapid identification of chemical starting points for drug discovery. It combines a set of instruments, a database system, software pipelines and workflows to enable routine screening of hundreds of crystals from a given target. We support projects from protein crystallization all the way to initial refinement and hit identification.
The platform integrates four key components:
- a high-throughput crystal preparation facility
- a collection of fragment libraries
- automated diffraction data collection at the BioMAX beamline
- software tools for large-scale data processing and analysis
The starting point for each project is a protein solution that can be crystallized on-site by FragMAX staff. The facility supports automated workflows including liquid handling for crystal soaking and robot-assisted crystal mounting. Users have access to multiple fragment libraries and can also send their own compound collections or screening sets. Workflows are highly customizable to meet specific project needs — for example, crystal preparation at 4 °C or room temperature, DMSO-free soaking, or tailored crystal transfer protocols.
Data collection is performed at the BioMAX beamline, which provides a high-intensity X-ray beam, a fast and reliable sample changer (464 crystals), a state-of-the-art X-ray detector (Eiger2 16M CdTe), and fully automated operation. FragMAX delivers end-to-end data processing, including X-ray data reduction, initial refinement, ligand restraint preparation, and hit identification with PanDDA and VALDO, enabling users to begin analyzing results shortly after data collection. All experimental steps — from crystal preparation through to initial structure refinement — are documented in a transferable database. In addition, FragMAX offers several freely available tools for accelerated structure modeling and refinement. Through its modular and customizable workflows, FragMAX enables users with varying levels of expertise to routinely obtain high-quality screening hits for their targets.
For more details, please check out the User information section or send an email to Tobias Krojer (tobias.krojer@maxiv.lu.se).