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 to see if my crystal
structure fits the SAXS. The fitting to the scat
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 t
al 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 data agree with the crystal structure?
Dear all,
I have solved a protein-DNA structure, and I also d
y, remember that the scattering profile represents the solution
>> average of the particle, not just a single snapshot. Some discrepancies
>> like those you note should be expected.
>>
>>
>>
>> Hope that helps,
>>
>>
>>
>> Kushol
>>
>>
>>
>> Kus
buffers aren’t quite right. (I’ve seen this a lot)
>>>
>>>
>>>
>>> Lastly, remember that the scattering profile represents the solution
>>> average of the particle, not just a single snapshot. Some discrepancies
>>> like those you note should b
n be an issue with complexes containing
>>> DNA if the buffers aren’t quite right. (I’ve seen this a lot)
>>>
>>>
>>>
>>> Lastly, remember that the scattering profile represents the solution
>>> average of the particle, not just a single s
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 common
