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Figure 1
BioSAXS analysis of complex samples. Purple center: data collection from monodisperse samples and routine ab initio shape reconstruction. Blue panel: some states of complex mixtures. Light-blue periphery: examples of novel approaches. Mixtures of oligomeric states or less-than-pure samples may be analysed using size-exclusion chromatography (top left) and available high-resolution data may be utilized in modeling (high-resolution structure of equine lysozyme (2eql ) is shown as an example). High-throughput data collection for samples that are sensitive to experimental conditions is facilitated using automated sample loading, e.g. from 96-well plates (top right), or by using microfluidic sample environments (middle, right). Microfluidic dialysis (Skou, Skou et al., 2014BB56) can be used for titrating small-molecule ligands (green square: ligand binding; orange square: allosteric modulator) and possible structural changes can be monitored (bottom right). Complex processes such as large-scale polymerization or protein fibrillation (bottom) can be followed, and complementary biophysical data (e.g. spectroscopy data) can be used in analyses. Meta data (bottom, left) from previous measurements can be used to optimize data collection strategy or to support data evaluation. Highly flexible protein structures (left) can be analysed by applying ensemble modeling [example from Møller et al. (2013BB40)].

IUCrJ
Volume 1| Part 6| October 2014| Pages 523-529
ISSN: 2052-2525
doi:10.1107/S2052252514020843