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

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,

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

2012-06-16 Thread David Briggs
Hi Xun, it is difficult to judge without seeing the P(r) plots, but seeing as you have a dimer in your crystal structure and a dimer in your SAXS, AND your Chi2 value seems reasonable for a good match between PX and SAXS, I'd say you've got what you need. A matching P(r) plot would be nice, but

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

2012-06-16 Thread Kushol Gupta
Two cents - A good deal of caution must be exercised when working with composite particles such as a protein-DNA complex in SAXS because of the contrast problem. Simply, protein and DNA scatter differently in x-rays, with a bias towards the DNA component. As a result, experimental Rgs could