Re: [ccp4bb] Professor Dame Louise Johnson

2012-10-03 Thread vellieux
A very nice picture of Prof. Louise Johnson can be found on http://www.flickr.com/photos/wellcomeimages/5814718414/ The picture was taken at Diamond's IO2 beam line. Condolences to her family and friends. Fred.

Re: [ccp4bb] ideal rms bond length

2012-10-03 Thread vellieux
Hi there, acceptable deviations from ideal geometry depends on the resolution of the data set. There are several papers dealing with this, including the paper describing the tool used in Phenix. I couldn't find the resolution of the data set used during refinement in your mail so it is

Re: [ccp4bb] ideal rms bond length

2012-10-03 Thread Faisal Tarique
Thanx everybody for your nice suggestions.. On Wed, Oct 3, 2012 at 3:19 AM, Faisal Tarique faisaltari...@gmail.comwrote: Dear all i request you to please answer my basic query about the ideal acceptable rmsbond length obtained during refmac refinement..is the data acceptable in mine case

Re: [ccp4bb] ideal rms bond length

2012-10-03 Thread Matthew Franklin
Dear Faisal - There are a few problems with your refinement. First and foremost, your R factors increase instead of decreasing! This is associated with a decrease in geometry rmsd, suggesting that Refmac is trying to fix an incorrect model using an excessively tight geometry weight.

Re: [ccp4bb] Professor Dame Louise Johnson

2012-10-03 Thread Enrico Stura
Professor Dame Louise Johnson was my thesis supervisor and I am saddened by her departure. I would like to encourage the crystallographic community to contribute to: http://en.wikipedia.org/wiki/Louise_Johnson so that her achievemens can be remenbered and can continue to inspire future

[ccp4bb] NIH postdoctoral position in membrane protein crystallography

2012-10-03 Thread Susan Buchanan
A postdoctoral position is available for structural and functional analysis of proteins involved in virulence and/or survival in pathogenic bacteria. We are particularly interested in developing drugs and vaccines that target multidrug resistant bacterial strains. See recent examples of our

[ccp4bb] off topic: reproducing hits from organic solvents

2012-10-03 Thread Peter Hsu
Hi all, I recently got some hits from a Mosquito grown at 18C with PEG4000 and 10% propanol. I've tried reproducing these hits using the standard 24 well format with no success, even with playing with PEG and propanol concentrations. The initial screening solution was from a kit that's been

Re: [ccp4bb] off topic: reproducing hits from organic solvents

2012-10-03 Thread Patrick Shaw Stewart
Peter We make a 96-well plate that was originally made for microbatch-under-oil, which has a large moat or well around the whole plate. My old friend Lesley Haire had a lot of success with this plate for a condition that contained isopropanol. She set up the drops without isoprop, covered them

Re: [ccp4bb] off topic: reproducing hits from organic solvents

2012-10-03 Thread Frank von Delft
Doesn't seem like there'd have been much isopropanol left in that tube after 2 years. In fact, your PEG may have gone off as well, changing the pH and god knows what else. Try screening pH and leaving out isopropanol in your optimization. phx On 3 October 2012 17:37, Peter Hsu