Yes - one solution is to use the MR phases to do a anom diff map to
position the Se sites.
You need to
a) run CAD to combine the DANO/ SIGDANO columns from your data with the
refmac output
b) use the fft utility to do a DANO map with PHIC and FOM and run a peak
search.
Ideally you should find whacking peaks related to your previous Se sites
(may be different origin, and symmetry equivalent.
If that is so, then use phistats (Reflection utility ) to move the Se
phases to the MR ones and you can do several things then.
I often just check the MR solution against the exptl phases first -
correct obvious errors, delete wrong residues etc)
Then do some refinement using phases and you will get out combined
phases from REFMAC..
Or use the SIRAS option #or ....
Eleanor
On 11/16/2011 06:23 AM, Frederic VELLIEUX wrote:
Hi,
This hasn't been mentioned by the people who have answered so far so here we
go: your molecular replacement solution and your SeMet solution to the phase
problem
are not necessarily using the same origin. There is a ccp4 program (is it
phistats ? and there may be other programs around) that can deal with this.
Fred.
Message du 15/11/11 22:56
De : "Feng Guo"
A : [email protected]
Copie à :
Objet : [ccp4bb] Can I combine selenoMet data and MR model to solve the phase
problem?
Hi, there,
Maybe someone asked this question before, but I couldn't find it in the archive.
We use the native data to do molecular replacement before, but only part of the
model fit the density. After collect a new set of selenoMet data, we try to use
it to
solve the phase, it solve some of the phase problem other than the MR, but
still not complete. Is there anyway that I can somehow combine the two phases
together?
Thank you.
Best,
Feng
