Re: [ccp4bb] Fwd: Twinning

2009-01-18 Thread Peter Cherepanov
Dear Andreas and all, refining multiple models together would sound like the most straightforward solution in a case like that. But (please correct me if I am wrong), generally, such trick can only work in P1: obviously, any symmetry operation (but lattice translation) applied to the sh

Re: [ccp4bb] Fwd: Twinning

2009-01-07 Thread Andreas Förster
Hey Stephen, how about simply putting three models, separated by 16A, into your original unit cell and refining them together. You'd have to guess their fractional occupancies from the heights of the Patterson peaks (and make them add up to one, obviously). This approach (in contrast to cor

Re: [ccp4bb] Fwd: Twinning

2009-01-07 Thread Isupov, Michail
wishes Misha Isupov University of Exeter From: CCP4 bulletin board [ccp...@jiscmail.ac.uk] On Behalf Of Stephen Hare [s.h...@mail.cryst.bbk.ac.uk] Sent: 06 January 2009 16:35 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Fwd: Twinning Dear All, We are

Re: [ccp4bb] Fwd: Twinning

2009-01-06 Thread Lijun Liu
This is an interesting case but your description lacked the diffraction part. Assuming no Heavy Atom sites in the native structure. Based on your description, another possibility may be Lattice Translocation. - Ref: J. Wang, S. Kamtekar, A. J. Berman and T. A. Steitz. Correctio

Re: [ccp4bb] Fwd: Twinning

2009-01-06 Thread Ethan Merritt
On Tuesday 06 January 2009 08:35:19 Stephen Hare wrote: > Dear All, > > We are currently working on a structure of apparent P21 symmetry which > has been solved by molecular replacement. The data are to 2.7Å but the > Rfree will not drop below 30%. The density is clear for the model we > hav

[ccp4bb] Fwd: Twinning

2009-01-06 Thread Stephen Hare
Dear All, We are currently working on a structure of apparent P21 symmetry which has been solved by molecular replacement. The data are to 2.7Å but the Rfree will not drop below 30%. The density is clear for the model we have, however there is extra density that suggests a shift of the st