Re: [ccp4bb] twinned data refinement

2015-06-11 Thread Eleanor Dodson
If you have unmerged data try running it through pointless/aimless/ctruncate. That analyses twin fractions very carefully and with that twin law you should see some evidence of 6 fold symmetry but less pronounced than for the 3 and 2 fold symmetry operators.. Eleanor On 11 June 2015 at 01:03,

Re: [ccp4bb] twinned data refinement

2015-06-10 Thread Ethan A Merritt
On Wednesday, 10 June, 2015 17:35:25 Mengbin Chen wrote: Hello everyone, I am refining a 2.5 angstrom structure whose phase is solved by molecular replacement with a search probe determined by SAD with 3 angstrom resolution. While I am able to see densities of a bunch of water molecules and

[ccp4bb] twinned data refinement

2015-06-10 Thread Mengbin Chen
Hello everyone, I am refining a 2.5 angstrom structure whose phase is solved by molecular replacement with a search probe determined by SAD with 3 angstrom resolution. While I am able to see densities of a bunch of water molecules and ligands in the MR solved structure, which means that the phase

Re: [ccp4bb] twinned data refinement

2015-06-10 Thread Mengbin Chen
Thank you Jacob and Ethan! I haven't put water molecules into the density blob, which aren't many out there, but I fitted the ligands in already. Molbrobity statistics are not yet great, since there are 13.5% rotamer outliers. Will adjust the models manually, and try refmac and TLS refinement.