Improving automatic data collection algorithms to cope with the most challenging protein samples

What is it about?

MASSIF-1 at the ESRF is the world's first beamline to fully automate X-ray crystallography data collection making multiple complex decisions while taking user requests into account. The algorithms have been improved to reduce errors and, crucially, collect the best possible data from even the most difficult samples. By automatically adjusting the X-ray beam diameter and collecting multi-position data sets we show, using GPCR crystals and large scale analysis of data gathered from samples on the beamline, that better data can be collected in a more reliable fashion without the need for human presence.

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Why is it important?

Modern structural biology requires researchers to use a wide variety of techniques, reducing the time needed to specialise. In the future, an increasing proportion of macromolecular crystallography will have to be 'out-sourced' to automated systems in order to allow challenging systems to be investigated. Here, we describe how the automatic sample location, characterisation and data collection algorithms have been improved to collect data from weakly diffracting samples.