New data analysis for BioSAXS at the ESRF

J Synchrotron Radiat. 2022 Sep 1;29(Pt 5):1318-1328. doi: 10.1107/S1600577522007238. Epub 2022 Aug 23.

Abstract

The second phase of the ESRF upgrade program did not only provide a new storage ring (Extremely Brilliant Source, EBS) but also allowed several beamlines to be refurbished. The BioSAXS beamline (located on port BM29) was upgraded with a new wiggler source and a larger detector. All analysis software has been rewritten to cope with the increased data flux and continues to provide beamline users with reduced and pre-processed data in real time. This article describes FreeSAS, an open-source collection of various small-angle scattering analysis algorithms needed to reduce and analyze BioSAXS data, and Dahu, the tool used to interface data analysis with beamline control. It further presents the data-processing pipelines for the different data acquisitions modes of the beamline, using either a sample changer for individual homogeneous samples or an inline size-exclusion chromatography setup.

Keywords: BioSAXS; automation; biological small-angle X-ray scattering; high brilliance; high-throughput SAXS; online data analysis; online purification; proteins; size-exclusion chromatography; solution scattering; structural biology.

MeSH terms

  • Chromatography, Gel
  • Data Analysis*
  • Scattering, Small Angle
  • Software
  • Synchrotrons*