Kratky Analysis & Eligibility for Ab initio Shape Determination

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480E
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Kratky Analysis & Eligibility for Ab initio Shape Determination

#1 Post by 480E » 2020.11.09 19:02

Hello,

I have collected some SAXS data on a few protein systems/complexes, and I have obtained the following plots:

logI(s)
Image

s^2I (Kratky)
Image

I have a few questions about these plots:

1. The scattering at high angles is exceptionally noisy. Is this an indication of something in particular? Disorder? Aggregation?

2. We lose the very small angle scattering due to difficulty in separating from the primary beam + beamstop, is that correct?

3. I have compared my Kratky plot to some other plots online, and it seems like my system(s) may be partially disordered. Am I correct in my interpretation?

4. I have generated envelopes with this data, and they have been very accurate/informative in the sense that the envelopes match my predicted models very well. Though, I have also recently read that there are tools for determining eligibility for ab initio modelling, as some systems/scattering will not generate reliable envelopes, since there are simply too many conformations in the sample. Are these eligbility tools offered through ATSAS? Does someone mind linking me to them?

5. Is it possible to generate a weighted ensemble of models/envelopes that best my scattering data, as opposed to one single envelope?

Thanks so much for any help/information!

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