Crysol High chi

Calculation of SAXS and SANS profiles (CRYSOL, CRYSON), superposition of models (SUPCOMB, DAMAVER, DAMCLUST), database DARA
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diegoesposito
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Crysol High chi

#1 Post by diegoesposito » 2017.02.03 13:50

Does anyone know why I get such high values of chi with CRYSOL when I use the my data and structure?
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HOIP_RBR_extended_short_RING2.pdb
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RNF144A.dat
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Alex
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Re: Crysol High chi

#2 Post by Alex » 2017.02.03 19:08

I think your question belongs to a topic "Working with Models", nevertheless,
the fit itself does not look bad, but (i) looks like its data from SWING, (ii) looks like its SEC-SAXS, and if (i) and (ii) are correct, it is
not quite clear how you got the final curve (homogeneous Rg range, multiple peaks, etc); (iii) your model is bigger to what
the data corresponds to (from the fit), which can be due to:
1. incorrect extrapolation to infinite dilution
2. your PDB model has smth that is not present in construct used for SAXS
3. if all was done correctly, it can be that solution model is more compact that the PDB model.

HTH, Alex

diegoesposito
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Re: Crysol High chi

#3 Post by diegoesposito » 2017.02.06 12:08

Thank you for your reply. Diego

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AL
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Try SREFLEX

#4 Post by AL » 2017.02.07 15:33

diegoesposito wrote:Does anyone know why I get such high values of chi with CRYSOL when I use the my data and structure?
Because your model does not fit the data.
Try SREFLEX - the first model it will suggest (rc01.pdb) should fit much better. You may want to start with SREFLEX online.

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