Re: [ccp4bb] Do my SAXS data agree with the crystal structure?

2012-06-17 Thread David Briggs
Dear Xun, Regarding your monomer vs dimer, theoretical vs observed crysol plots - yes - they are significantly different. If you focus at the very lowest q part of the curve - the deviation there in your monomer plots indicate that there is a significant size difference between your PX monomer

Re: [ccp4bb] Do my SAXS data agree with the crystal structure?

2012-06-17 Thread Anastassis Perrakis
If you main point is dimer vs monomer, Guinier plots is in fact all you would need, in my opinion according to what I have read so far... A. On 17 Jun 2012, at 13:01, David Briggs wrote: Dear Xun, Regarding your monomer vs dimer, theoretical vs observed crysol plots - yes - they are

[ccp4bb] Fwd: [ccp4bb] Do my SAXS data agree with the crystal structure?

2012-06-17 Thread Richard Gillilan
In theory, there should be a simple way to calculate P(r) directly from the crystal structure rather than indirectly from the expected scattering curve. Distribution of pair distances, r^2 weighted. This would remove any ambiguity about choice of Dmax. ... but I can't think of any of the

Re: [ccp4bb] Do my SAXS data agree with the crystal structure?

2012-06-17 Thread Savvas Savvides
It might also be useful to go through the recent paper by Jacques et al Acta cryst D68:620-6 (2012) towards the standardization of saxs data analysis, diagnostics and reporting. Best regards, Savvas On 17-jun.-2012, at 13:01, David Briggs drdavidcbri...@gmail.com wrote: Dear Xun,