Re: [ccp4bb] Question about strange MR solution

2008-02-05 Thread Eleanor Dodson
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, equivalen

Re: [ccp4bb] Question about strange MR solution

2008-02-05 Thread Pietro Roversi
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

Re: [ccp4bb] Question about strange MR solution

2008-02-04 Thread Marius Schmidt
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 refin

[ccp4bb] Question about strange MR solution

2008-02-04 Thread Michele Lunelli
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 inst