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Figure 1
User workflow for campaigns with the FFCS software. A typical FFCS experiment begins with the creation of a project ID in the MongoDB Atlas. As a first step, each crystal plate designated to be used in a fragment-screening experiment is recreated virtually as an object in the database to facilitate access to the corresponding images of each individual crystal well taken with the Rock Imager. These images are necessary for the second step, where they are visually assessed by the user to define the XY target coordinates for the subsequent ligand-solution transfer. This is a crucial step to prevent damage to the crystals during ligand transfer and facilitates crystal assessment, selection and targeting in one quick step. Selected wells and target coordinates are stored in the database and used to create input files for the Echo dispenser and the shifter device later. Timestamps for soaking duration are created in the database by a small GUI called soakMe to keep track of the exact incubation times for each individual crystal. During the shifter-assisted crystal harvesting, parameters such as harvesting status, observed crystal quality, puck name and puck location, and the time required to harvest each crystal are recorded and stored in the database via the shiftMe GUI. Finally, a complete experimental report can be extracted from the FFCS GUI, which includes all of the previously collected data in an .xls file format, and a data-collection spreadsheet for data collection at SLS can be derived from it.

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983
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