Sample logistics at PETRA III MX beamlines

Macromolecular crystallography (MX) is an established, fast and reliable X-ray based method for protein structure determination with atomic resolution. PETRA III is a bright X-ray source at Deutsches Elektronen-Synchrotron (DESY) in Hamburg, where three MX beamlines are operated by DESY and European Molecular Biology Laboratory (EMBL). The pandemic situation increased the demand for remote operations and ever since more than 50 % of the experiments still happen on remote mode. Now also fully autonomous experiments are planned, where there is no scientist intervention at all.

To support the increasing number of shipments, the logistics of the sample delivery and tracking had to be re-established. The previous system was relying on manual processes that are prone for human error and laborious for sorting of the samples and keeping track with large numbers of shipments. Storaging of the shipment cases and sample containers in such large quantities in comparison to previous years became an issues of space in the experimental hall. Equally, the sample shipments require regular refill of the cryogenic substance to keep the samples intact until the experiments start. Monitoring the refill status and conveying this to the beamline users via digital logging system is an advantage and saves time and effort on both sides.

The new logistics system has been realised by installing a new storage for the sample shipments in form of a tall, shelved and closed rack with a lift function. The system contains software that enables searching and automated delivery of a correct shelf with the desired samples.

An additional software was adapted to DESY environment for tracking the location and refill status of the samples and connect to a large database, through which the staff and the users of the beamlines can retrieve the sample information (see image).