[ccp4bb] Postdoctoral Position in structural Biology of protein-nucleic acid complexes at EMBL Heidelberg

2013-08-16 Thread Orsolya Barabas
Dear All, I have a postdoc vacancy in my lab at EMBL Heidelberg, Germany. The ideal candidate should have some experience in crystallography and be enthusiastic to discover molecular mechanisms of complex nucleic acid - protein machines (transposases and/or small RNA mediated silencing

Re: [ccp4bb] Data processing - twinned xtals

2013-08-16 Thread Bosch, Juergen
Hi Mahesh, TESTGEN START 1 END 120 ANGLE 0.5 moving the detector further back or using 2theta and collecting more frames. When you started shooting at your image you should have checked for overlaps ahead of time. I assume this to about 1.8 Å - maybe it would have been wiser to collect a 2.5 Å

Re: [ccp4bb] Data processing - twinned xtals

2013-08-16 Thread Mark van Raaij
doesn't necessarily looked twinned to me. Rather it looks like you have a trigonal or hexagonal cell with a long c-axis. On image 2 it seems you may have systematic absences along l, although it is hard to tell the order. Perhaps P31, P32, P62, P64 or spacegroups with these symmetries plus

Re: [ccp4bb] Data processing - twinned xtals

2013-08-16 Thread Mark van Raaij
PS For future data collections, try to get the long c-axis roughly along the crystal rotation axis if possible. On 16 Aug 2013, at 16:38, Mahesh Lingaraju wrote: Hi CCP4 folks I have a data set which is looks twinned ( see the image-1 - I zoomed on to the image so that one can spot the

Re: [ccp4bb] Data processing - twinned xtals

2013-08-16 Thread Harry Powell
Hi Mahesh In addition to what Mark and Juergen have written, it looks to me like you have very high mosaicity in one direction - the first image shows no distinct lunes; I suspect that may have something to do with the failure to process - but what do you mean when you say you cannot process

Re: [ccp4bb] Data processing - twinned xtals

2013-08-16 Thread Zbyszek Otwinowski
This is clearly a case of a crystal with a very long unit cell; a case which should be approached mindfully. HKL2000 has a default search for indexing solutions such that diffraction along the longest unit cell will be resolved, with the assumed spot size. The problem with such diffraction has 2

Re: [ccp4bb] Data processing - twinned xtals

2013-08-16 Thread Bosch, Juergen
for #2) I'd suggest get some of those Mitigen loops that are titled. I assume you have hexagonal plates as crystals and you really want to shoot along the thin area of the crystal down the sixfold. With normal loops it's an art to get that crystal to sit upright in the loop but not impossible

Re: [ccp4bb] Data processing - twinned xtals

2013-08-16 Thread Zbyszek Otwinowski
This is clearly a case of a crystal with a very long unit cell; a case which should be approached mindfully. HKL2000 has a default search for indexing solutions such that diffraction along the longest unit cell will be resolved, with the assumed spot size. The problem with such diffraction has 2

Re: [ccp4bb] Data processing - twinned xtals

2013-08-16 Thread Zbyszek Otwinowski
This is continuation of the previous message, which was sent prematurely. In case of crystals with one, very long unit cell data collection strategy needs to be carefully chosen. Ad. 2) What would be a better way to collect data in the future? First, the detector needs to be placed far back

Re: [ccp4bb] Data processing - twinned xtals

2013-08-16 Thread Bosch, Juergen
tilted is what I meant at an angle of e.g. 30 or 60 degrees. Works fine with most SSRL beamlines except of the 12-2 microfocus - but that might have been fixed in the meantime. Jürgen On Aug 16, 2013, at 1:57 PM, Bosch, Juergen wrote: for #2) I'd suggest get some of those Mitigen loops that

Re: [ccp4bb] rmerge

2013-08-16 Thread Zbyszek Otwinowski
Dear All, The purpose of statistics in the output of Scalepack is to help the experimenter to assess the data. The question is, what is the purpose of R-merge statistics and its usefulness when its value exceeds 100%? When Scalepack was originally written 20 years ago, I made a decision to