Dear Michele,
I think your MR solution is on a different allowed
origin - that's all
Ciao
Pietro
--
Pietro Roversi
Sir William Dunn School of Pathology, Oxford University
South Parks Road, Oxford OX1 3ER, England UK
Tel. 0044-1865-275385
I think you have just found a symmetry equivalent of your original
structure solution.
In P6122 there are 12 possible symmetry operators to choose from - only
one of which will be the identity (equivalent to alpha=beta=gamma=0)
One certainly will have alpha or gamma = 180, and beta 0,
Dear Michelle,
this is not strange at all. You simply have
a MR solution that refers to a different origin.
You cannot display the original model plus the
MR solution in the same coordinate system (with
respect to the same origin). Of
course they clash.
Greetings
Marius
Dear all,
I refined
Dear all,
I refined a protein structure in the space group P6(1)22, with one copy in the
asymmetric unit, resolution ~1.8 A, Rwork=0.20, Rfree=0.22.
Then I tried to feed Phaser (version 1.3.3) with this structure. It found
quickly a very prominent solution, but the first euler angle is 180
