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Small-angle X-ray scattering (SAXS) in solution is a common low-resolution method which can efficiently complement high-resolution information obtained by crystallography or NMR. Sample monodispersity is key to reliable SAXS data interpretation and model building. Beamline setups with inline high-performance liquid chromatography (HPLC) are particularly useful for accurate profiling of heterogeneous samples. The program DATASW performs averaging of individual data frames from HPLC-SAXS experiment using a sliding window of a user-specified size, calculates overall parameters (I(0), Rg, Dmax and MW) and predicts the folding state (folded/unfolded) of the sample. Applications of DATASW are illustrated for several proteins with various oligomerization behaviors recorded at different beamlines.
If you use DATASW in your work, please, cite:
Shkumatov A.V. & Strelkov S.V. (2015) Acta Cryst. D71, 1347–1350
Features
- buffer subtraction
- frame averaging using sliding window of user-specified size
- calculation of Rg, I0, Dmax either using Guinier approximation or indirect Fourier transform
- estimation of molecular weight using Porod volume, volume of correlation and SAXS MoW
- peak(s) detection
- plot results interactively with different axes' limits
- dimensionless Kratky plot for the sample and two reference (BSA and unfolded hTau40wt) proteins
- interactive averaging of data frames and normalization of dimensionless Kratky plot
Project Samples
