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As Training Dissemination and Implementation center in the BioxHIT consortium we would like to disseminate some of the most recent developments that have been reached by the groups that are involved in the BioxHIT in terms of technologies and tools in particularly available at the beamlines for automated data collection.
In fact the use of the Sample Changer has enhanced the performance and the result of the data collection at the ESRF. In the Sample Changer it is in fact possible to load fifty crystals, all in one. In this way a large number of crystals can be screened for diffraction in a very limited amount of time.
Before starting an ESRF trip, furthermore, the ISPyB (Information System for Protein crYstallography Beamline) can store the information of each crystal sent to the ESRF. If the standard SPINE pins are used (the only ones the SC can handle) it is possible to associate each barcode engraved in the back of the pin with the characteristic of the crystal.
At the same time DNA (automateD collectioN of datA) has access to this information and automatically characterizes each crystal, collecting two diffraction images 90 degrees apart, and calculates the limit of diffraction in terms of I-over-sigma, and the best strategy for the required data collection (i.e. for a SAD data collection the strategy proposed will maximize the anomalous completeness).
DNA uses different programs to do this job. Actually, indexing is performed by MOSFLM, scaling by SCALA and the strategy is calculated through BEST, to take in account also the radiation damage. The results of this analysis are then stored back in the ISPyB server, and are also reachable remotely also from the home lab. Beside these results, snapshots of the diffraction images are also available, with and without predictions according to the indexing done by DNA.
Now on the ESRF beamlines is also possible to use a K-goniometer, to collect high redundant data, that is perfectly compatible with the SC. If you would like to have more information about those development we are glad to share our knowledge and help you to have full access to those facilities.