 | Acta Crystallographica Section D Acta Crystallographica Section D BIOLOGICAL CRYSTALLOGRAPHY |
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![[Figure 1]](gx5082fig1mag.jpg)
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Figure 1
A schematic diagram showing the SPINE high-throughput structure-determination pipeline, highlighting the role played by bioinformatics and data management. The yellow drums indicate databases and the primary flow of information is indicated by black arrows. Potential target sequences are annotated using bioinformatics tools and collated into target databases. Selection of targets for expression and construct design is guided by bioinformatics data. Data on the protein-production process are recorded by a LIMS and other informatics tools. For crystallography, purified soluble protein samples enter crystallization trials using robotic setup, storage and imaging procedures, all of which are managed by custom databases and software interfaces. Data are collected from crystals either in-house or at synchrotron sources requiring crystal-shipping management and automated beamline operation and record keeping. Phasing and structure refinement are also increasingly automated. Refined structures are annotated by reference to the literature and using automated tools. These structures are then deposited in the public structure database, which contributes towards improving sequence and structure-annotation tools, feeding back into more informed target selection. |
![[Figure 1]](gx5082fig1.jpg)
| BIOLOGICAL CRYSTALLOGRAPHY |
ISSN: 1399-0047
