Re: [ccp4bb] very informative - Trends in Data Fabrication

2012-04-06 Thread James Whisstock
As famously observed by the Yes Minister teamthe dream outcome for any organization: http://www.youtube.com/watch?v=x-5zEb1oS9A&feature=youtube_gdata_player J Sent from my iPhone On 07/04/2012, at 3:16 AM, Patrick Loll wrote: > Ron makes an excellent point. Many institutions devote far mo

Re: [ccp4bb] scala - handling of anomalous data

2012-04-06 Thread Phil Evans
I wouldn't recommend this option Phil On 6 Apr 2012, at 21:41, Matthew Chu wrote: > Hi all, > > Can someone kindly explain what is that "match pairs related by inversion of > indices" option doing for handling anomalous data? If I have collected the > inverse beam data, does it mean I have to

[ccp4bb] scala - handling of anomalous data

2012-04-06 Thread Matthew Chu
Hi all, Can someone kindly explain what is that "match pairs related by inversion of indices" option doing for handling anomalous data? If I have collected the inverse beam data, does it mean I have to use this option to match the I+ and I- pairs in merging? But why does it lead to seriously incom

Re: [ccp4bb] Error in Scala

2012-04-06 Thread Phil Evans
Do run the data through Pointless before Scala to check the point group. Try "scales constant" just to check that things aren't completely hopeless Phil On 6 Apr 2012, at 20:29, Yuri Pompeu wrote: > Hi everyone, > Sorry for the newbie type problems, but I am just starting to use ccp4 for > dat

[ccp4bb] Positions in Structural Biology of Signaling and HIV-related Immunology

2012-04-06 Thread Qiang Chen
There are two immediate openings for protein crystallographer position in Harvard Medical School. One of the research projects is focused on the structural and functional investigation of Wnt signaling pathway. The project is the close collaborative efforts between Professor Xi He’s lab at Children

Re: [ccp4bb] Error in Scala

2012-04-06 Thread Antony Oliver
One quick thought is - are you trying to scale reflections that don't really exist? I.e are you trying to push your resolution a bit too much? Tony. Sent from my iPhone On 6 Apr 2012, at 20:29, "Yuri Pompeu" wrote: > Hi everyone, > Sorry for the newbie type problems, but I am just starting

[ccp4bb] Error in Scala

2012-04-06 Thread Yuri Pompeu
Hi everyone, Sorry for the newbie type problems, but I am just starting to use ccp4 for data processing. Here is my problem. After I index and integrate my images using iMOSFLM, I end up with the .mtz files that contains, AIUI, unmerged reflections. Next I should try to merge and scale experiment

[ccp4bb] UPDATED: Position Available: Technical Key Account Manager at Microlytic

2012-04-06 Thread Melanie Adams-Cioaba
In response to very welcomed suggestions from the bb, we have opened the hiring of this position to include non-Ph.D. candidates. Please see the updated posting below: Enquires and applications (coverletter and C.V) can be forwarded to j...@microlytic.com. The posting is also available at www.mi

Re: [ccp4bb] very informative - Trends in Data Fabrication

2012-04-06 Thread Patrick Loll
Ron makes an excellent point. Many institutions devote far more energy to limiting risk than to doing the right thing. This leads administrators to a frightening, but logical conclusion: The less science we do, the less chance of our doing something that could invite a penalty on the university.

Re: [ccp4bb] very informative - Trends in Data Fabrication

2012-04-06 Thread Ronald E Stenkamp
Dear John, Your points are well taken and they're consistent with policies and practices in the US as well. I wonder about the nature of the employer's responsibility though. I sit on some university committees, and the impression I get is that much of the time, the employers are interested

[ccp4bb] Position Available: Technical Key Account Manager at Microlytic

2012-04-06 Thread Melanie Adams-Cioaba
*This posting is also available at *http://www.microlytic.com/careers . * * *Please submit a coverletter and C.V. to supp...@microlytic.com. **All general enquiries may be also be directed to this address.* * * *Position Summary:* Your primary focus will be the commercialization of Microlytic

Re: [ccp4bb] off topic: the effects of spontaneous oligomerization on crystallization

2012-04-06 Thread Bosch, Juergen
If you have a DLS you can try playing with different [NaCl] or pH and see if you can push the equilibrium in one direction. Jürgen On Apr 6, 2012, at 11:41 AM, 杨贝 wrote: Dear All, I have a 100KD protein which elutes as a mixture of 90% monomer and 10% dimer on HPLC, if I pool the monomer frac

[ccp4bb] off topic: the effects of spontaneous oligomerization on crystallization

2012-04-06 Thread 杨贝
Dear All, I have a 100KD protein which elutes as a mixture of 90% monomer and 10% dimer on HPLC, if I pool the monomer fractions and reload them onto the column, the elution profile is still 90% monomer plus 10% dimer, and the same is true if I do so to the dimer peak. Collectively, there seems

Re: [ccp4bb] problem in scaling the Zn-MAD data

2012-04-06 Thread Eleanor Dodson
I don't see how a self rotation function can determine SG. If you processed data as P1 then found the SR maps showed 3 folds and 2 folds you might suspect that POINT GROUP!!! (Remember space groups are guessed on the basis of systematic absences - you don't really know that till you have a stru

Re: [ccp4bb] problem in scaling the Zn-MAD data

2012-04-06 Thread Eleanor Dodson
You know that point group has two indexing conventions (h k l and -k,-h,-l if I remember - see the CCP4 documentation on alternate indexing and use pointless to sort it out.. Eleanor . Use pointless to check On Apr 4 2012, Deepthi wrote: Hello everyone I have a problem scaling the MAD data wh

Re: [ccp4bb] negative difference density around sulphur and oxygen atoms

2012-04-06 Thread Eleanor Dodson
This could well be due to radiation damage - S are often affected, also Glu and Asp side chains. It is hard to know what to do since the effects are time related. If you have high redundancy maybe you could not use he later batches? Otherwise maybe just relax the B factor restraints and let them

Re: [ccp4bb] very informative - Trends in Data Fabrication

2012-04-06 Thread John R Helliwell
Dear Ron, Re (3):- Yes of course the investigator has that responsibility. The additional point I would make is that the employer has a share in that responsibility. Indeed in such cases the employer university convenes a research fraud investigating committee to form the final judgement on continu