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 : [log in to unmask]
>> 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
>>
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