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

2012-06-17 Thread David Briggs
Subject: [ccp4bb] Do my SAXS data agree with the crystal structure? Dear all,    I have solved a protein-DNA structure, and I also did SAXS to get some ideas of the solution structure.  The SAXS data were good, no aggregation at all three tested concentrations.  I tried to use Crysol

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

2012-06-17 Thread Anastassis Perrakis
University of Pennsylvania kgu...@mail.med.upenn.edu 215-573-7260 / 267-259-0082 -Original Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Xun Lu Sent: Saturday, June 16, 2012 2:29 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Do my SAXS

[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
: Saturday, June 16, 2012 2:29 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Do my SAXS data agree with the crystal structure? Dear all, I have solved a protein-DNA structure, and I also did SAXS to get some ideas of the solution structure. The SAXS data were good

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
- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Xun Lu Sent: Saturday, June 16, 2012 2:29 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Do my SAXS data agree with the crystal structure? Dear all, I have solved a protein-DNA structure, and I also did SAXS