FragMAX provides an integrated workflow that includes:

  • crystallisation setup
  • fragment soaking
  • crystal mounting
  • automated data collection at BioMAX
  • data processing and hit identification using autoPROC, DIMPLE and PanDDA/ VALDO

FragMAX staff carry out the experimental work. You can be as involved as you like, but for most projects users are not required to be on site.

We will also do the data processing, initial refinement, data set clustering with cluster4x and hit identification with PanDDA/ VALDO. Model building, ligand fitting and final refinement are carried out by users, but we are happy to provide feedback and discuss interpretation.