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> *From:* CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] *On Behalf Of
> *Gabriel
> Moreno
> *Sent:* Wednesday, January 22, 2014 3:50 PM
> *To:* CCP4
.AC.UK
Subject: [ccp4bb] Two P1 xtals with same xtal contacts give 2 different
asymmetric units
Dear CCP4 Contributors,
I have a bit of a mystery:
Two co-crystals that I picked up from the same grid tray (the two conditions
vary slightly in %PEG and [salt], both indexed as P1 (apo structure normally
Hi Gabriel -
If the crystal contacts really are all the same, it sounds to me like your MR
program may have just placed the monomers in different but equivalent
symmetry-related positions between the two structures. Try moving the outlying
monomers to the symmetrically related positions that
Dear Gabriel,
Couldn't it simply be that your two crystals were indexed differently?
If you could give their respective cell parameters, it will be possible to
tell whether this is the case.
With best wishes,
Gerard.
--
On Wed, Jan 22, 2014 at 12:50:03PM -0800, Gabriel
Dear Gabriel -
You don't say if the two crystals are essentially identical - do they
have the same unit cell parameters? I would imagine so.
The phenomenon you describe is very common with molecular replacement
(is this how you solved it?) or with auto-tracing. Your two structures
are, in f
Dear CCP4 Contributors,
I have a bit of a mystery:
Two co-crystals that I picked up from the same grid tray (the two
conditions vary slightly in %PEG and [salt], both indexed as P1 (apo
structure normally crystallizes in P3221). One dataset was indexed,
integrated and scaled with HKL2000. The oth
