Making the most of an abundance of data

The Guest Editors introduce the special issue based on talks at the CCP4 Study Weekend 2023. The virtual issue is available at https://journals.iucr.org/special_issues/2024/CCP42023/.

AlphaFold-guided molecular replacement for solving challenging crystal structures

AlphaFold predictions of protein structures can be highly effective for crystal structure determination by the method of molecular replacement. A high degree of automation is possible with attention to prediction-reliability cutoffs, delineation of domains, and subclusterings to reveal alternative conformations. An AF-guided MR script, thus devised and openly available, solved 93% of 372 test cases.

Useful experimental aspects of small-wedge synchrotron crystallography for accurate structure analysis of protein molecules

This study highlights the efficiency and effectiveness of small-wedge synchrotron crystallography in analyzing protein structures through massive data collection and advanced data-processing techniques, including machine learning, resulting in significant improvements in structural information.