Re: [ccp4bb] possible solution with Phaser

2021-01-06 Thread Eleanor Dodson
First - test other spacegroups - your solutions have lots of 60 degree angles - and the space group is hexagonal - there can be confusion between cryst symmetry and homo-dimer symmetries. If you go back to the data processing and read the pointless output carefully for point group clues- Qs to che

Re: [ccp4bb] possible solution with Phaser

2021-01-06 Thread Randy John Read
Dear Luca, I think all of those orientations are symmetry-related copies of the same orientation. This would imply that there is tNCS, but it doesn’t look like Phaser is applying tNCS. The second and fourth molecules are in the same orientation, but differing by 1/6 of the a-axis cell transla

Re: [ccp4bb] possible solution with Phaser

2021-01-06 Thread Marc Graille
Dear Luca, few possibilities: 1) Consider that you may have only 3 monomers in the asymmetric unit and not 4 as suggested from Matthew’s coefficient. Which are the R and Rfree values if you refine this model with only 3 molecules? 2) When you look at the crystal packing on the correctly placed

Re: [ccp4bb] possible solution with Phaser

2021-01-05 Thread Ethan A Merritt
On Tuesday, 5 January 2021 23:38:02 PST Luca Mazzei wrote: > Hi all, The generic answer is to make another Phaser run using the three good placements as a known substructure and searching for a single copy of the monomer. Since it might be minor collisions that are causing a bad translation score

[ccp4bb] possible solution with Phaser

2021-01-05 Thread Luca Mazzei
Hi all, I am struggling with the MR of a homo-dimer using Phaser. Matt_coeff strongly suggests the presence of 4 mol per asym unit (space group P6222). The results after a search of 4 mol per asymmetric unit of my monomer are the following: ** SINGLE solution ** Solution written to SOL file: