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The drive toward high throughput in structural biology has resulted inmany technical innovations and developments. From ligation-independent cloning through nanolitre-scale crystallization to automated data collection the effects of these developments are changing the process of macromolecular structure determination for all laboratories, large and small, and dramatically extending our ability to address challenging scientific problems. Informatics and data management systems have also seen rapid development, and indeed for true high throughput they have become absolutely essential. Areas covered by these developments include: annotation of potential targets and target selection; construct and primer design; laboratory information management systems (LIMS) for tracking experimental work in the laboratory; managing setup and monitoring of crystallization trials; requesting and scheduling of resources such as synchrotron beam time; tracking storage and exchange of samples (such as shipping crystals to synchrotrons); controlling beam lines for both manual and automated data collection; data reduction and formulation of data collection strategies; techniques for automated structure solution, refinement, annotation and deposition; software for tracking progress of targets along the pipeline. The Oxford Protein Production Facility (OPPF) has been at the forefront of many of the developments in Europe, and through collaborative projects such as SPINE (www.spineurope.org), eHTPX (www.e-htpx.ac.uk) and PiMS (www.pimslims.org) it is endeavouring tomake these developments relevant to other structural biology groups. This presentation provides an overview (with a European perspective) of the current state of informatics developments for the first part of this pipeline as far as x-ray data collection by describing the informatics techniques developed by these collaborations and regularly employed at the OPPF. Areas that will be covered in more detail include target selection, the current state of development of the PiMS LIMS, crystallization and developments toward automated/remote synchrotron data collection. m03.o02

An overview of informatics developments for managing target selection to X-ray data collection