Re: [ccp4bb] ? steps after detwinning
@R.Brown Resolution 3.2A DENZO suggests P6. Angles are 90,90,120 Data completeness ~95% R-merge-0.06 Wilson B-factor 42.0
Re: [ccp4bb] ? steps after detwinning
@R.Brown I'm using DENZO I'm trying POINTLESS but I don't understand unmerged data -what's that? is it the spot images which are used for peak search during data processing? Both SFCHECK phenix.xtriage showed the information about pst twinning. However I've tried a thorough process of reindexing,phaser,refmac ...etc. now in P31 is showing R-factor R-free as 0.37 0.40 respectively with a poly-ala model.I think I'm going towards correct solution. Many many thanks for your help.
Re: [ccp4bb] ? steps after detwinning
I've used phenix.xtriage and it showed that in all three cases i.e. (P31,P61 P6122 space groups) translational pseudosymmetry is very likely present). Again, when I used molrep in ccp4,it showed translational pseudosymmetry is detected.
Re: [ccp4bb] ? steps after detwinning
@R.Brown I regret to say that I can't tell what the actual translation is but regarding no. of monomers/asu,I got three non-overlapping monomers.My problems are - 1.actual space-group is not clear yet. 2.no. of monomers/asu ? 3.how to proceed with the technique where data having pseudosymmetry twinning are firstly solved in lower symmetry space-group until the R-factor R-free come to stand still and then tranference to a higher symmetry space-group.Is the solution in lower symmetry sg used in higher symmetry sg or the raw data is individually processed in both lower higher sg? I've mentioned the detailed problem in the ccp4bb on 27th september'10
Re: [ccp4bb] ? steps after detwinning
@R.Brown I've already tried POINTLESS but due to some reasons it failed and it isyet to be fixed.I've used SFCHECK which shows the PST vectors.I'm alreadyusing PHASER with all choices of alternative space groups. N.B.:I've mailed you twice but each time the mail is undelivered.
Re: [ccp4bb] ? steps after detwinning
After running phenix.xtriage the possible point group is P622 and possible spacegroups are P622,P6122,P6522,P6222,P6422,P6322. Using this information when I run PHASER, P6322 is shown to be the most probable one.After 5 cycles of phenix.refine R- R-free - 57 60 respectively. From other crystallization papers, I found that data having translational pseudosymmetry had been solved in low-symmetry spacegroup firstly and then in higher symmetry.My query is:Is the data in lower symmetry spacegroup used for higher symmetry or the raw-data is processed individually in higher symmetry? if raw data is used,then why not starting with higher symmetry directly? if data got in lower symmetry group is used,then what is the procedure?Are the .mtz .pdb files generated in Refmac used for higher symmetry? Thanks in advance.
Re: [ccp4bb] ? steps after detwinning
Do you have translational pseudo symmetry - what is the evidence? It can confuse space group assignment.. Eleanor Seema Nath wrote: After running phenix.xtriage the possible point group is P622 and possible spacegroups are P622,P6122,P6522,P6222,P6422,P6322. Using this information when I run PHASER, P6322 is shown to be the most probable one.After 5 cycles of phenix.refine R- R-free - 57 60 respectively. From other crystallization papers, I found that data having translational pseudosymmetry had been solved in low-symmetry spacegroup firstly and then in higher symmetry.My query is:Is the data in lower symmetry spacegroup used for higher symmetry or the raw-data is processed individually in higher symmetry? if raw data is used,then why not starting with higher symmetry directly? if data got in lower symmetry group is used,then what is the procedure?Are the .mtz .pdb files generated in Refmac used for higher symmetry? Thanks in advance.
[ccp4bb] ? steps after detwinning
my crystals have 0.401 alpha-twinning fraction,which on detwinning reduced to 0.22 also pseudo-translation ~48.5,the resolution is poor,3.7 angstorm,please suggest next step after detwinning thanks in advance ..
Re: [ccp4bb] ? steps after detwinning
Seema Nath wrote: my crystals have 0.401 alpha-twinning fraction,which on detwinning reduced to 0.22 also pseudo-translation ~48.5,the resolution is poor,3.7 angstorm,please suggest next step after detwinning thanks in advance .. Sorry to be flippant, but you would probably be best spending your time on crystal improvement.. Just a warning though - the twinning detection programs can get it wrong when there is pseudo-translation. eleanor
