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From X-ray data to protein structures: The Auto-Rickshaw story
What is it about?
X-ray experiments provide clues to the three-dimensional shapes of proteins and other biological molecules, but turning the measurements into a structure takes many steps. Researchers must choose suitable methods, assess the results and sometimes try a different approach. Auto-Rickshaw was developed to guide these decisions automatically. It examines the available data, runs established crystallography programs and checks the results as it works towards a structure. This review traces its development from EMBL Hamburg to its continued use and development at the Australian Synchrotron.
Why is it important?
Auto-Rickshaw made complex structure-solving methods more accessible and gave researchers quicker feedback during X-ray experiments. That feedback can help them decide whether their data are sufficient or whether to collect more while they still have access to the instrument. The review also explains a lasting lesson from its development: useful automation must do more than run programs in sequence. It must assess evidence and make sensible choices along the way. This remains relevant as modern instruments produce more data and experiments become increasingly automated.