{Reference Type}: Journal Article
{Title}: Consensus Bayesian assessment of protein molecular mass from solution X-ray scattering data.
{Author}: Hajizadeh NR;Franke D;Jeffries CM;Svergun DI;
{Journal}: Sci Rep
{Volume}: 8
{Issue}: 1
{Year}: 05 2018 8
{Factor}: 4.996
{DOI}: 10.1038/s41598-018-25355-2
{Abstract}: Molecular mass (MM) is one of the key structural parameters obtained by small-angle X-ray scattering (SAXS) of proteins in solution and is used to assess the sample quality, oligomeric composition and to guide subsequent structural modelling. Concentration-dependent assessment of MM relies on a number of extra quantities (partial specific volume, calibrated intensity, accurate solute concentration) and often yields limited accuracy. Concentration-independent methods forgo these requirements being based on the relationship between structural parameters, scattering invariants and particle volume obtained directly from the data. Using a comparative analysis on 165,982 unique scattering profiles calculated from high-resolution protein structures, the performance of multiple concentration-independent MM determination methods was assessed. A Bayesian inference approach was developed affording an accuracy above that of the individual methods, and reports MM estimates together with a credibility interval. This Bayesian approach can be used in combination with concentration-dependent MM methods to further validate the MM of proteins in solution, or as a reliable stand-alone tool in instances where an accurate concentration estimate is not available.