Re: [ccp4bb] Disulfide bonds

2012-03-04 Thread Francois Berenger
I wonder if it's not in the output of pisa from ccp4mg. On 03/05/2012 12:30 AM, Bart Hazes wrote: Hi Fred, The SSBOND server has indeed been moved as we have relocated to a new building. SSBOND is still available at the new server address: http://hazeslab.med.ualberta.ca/forms/ssbond.html This

Re: [ccp4bb] Disulfide bonds

2012-03-04 Thread Bart Hazes
Hi Fred, The SSBOND server has indeed been moved as we have relocated to a new building. SSBOND is still available at the new server address: http://hazeslab.med.ualberta.ca/forms/ssbond.html This was my first ever program,with help from Bauke Dijkstra, and I was pleasantly surprised how man

Re: [ccp4bb] Disulfide bonds

2012-03-04 Thread Ed Pozharski
If you are looking for predicting disulfide bonds, then this may be useful http://lmgtfy.com/?q=predict+disulfide+bonds Cheers, Ed. -- Hurry up, before we all come back to our senses! Julian, King of Lemurs

Re: [ccp4bb] Disulfide bonds

2012-03-04 Thread Frederic VELLIEUX
I'd google for "Bart Hazes" and "SSBOND" myself. There is (or was) a server, and the publication is Prot. Eng. 1988, 119, 25 (PMID 3244694). The server seems to be down or has moved. HTH, Fred. > Message du 04/03/12 05:07 > De : "Naveed A Nadvi" > A : CCP4BB@JISCMAIL.AC.UK > Copie à : > Objet

Re: [ccp4bb] disulfide bonds, SE sample, and Xray absorption edges

2008-09-25 Thread konstantin v. korotkov
Your case might be different, but it could also be a true Se signal from Se-Cys incorporated into your protein during Se-Met expression. Depending on the protocol you used, Se may get incorporated into Cys, especially if only source of "sulfur" is Se-Met. We have seen such signals from Cys- con

Re: [ccp4bb] disulfide bonds, SE sample, and Xray absorption edges

2008-09-25 Thread Ethan Merritt
On Thursday 25 September 2008 08:45:10 Michael Jackson wrote: >   This data was collected at 0.97960 Angstroms which is close to the peak >   Xray absorption edge for Se but does anyone know if a disulfide has any >   absorption edge overlapping here? http://skuld.bmsc.washington

Re: [ccp4bb] disulfide bonds, SE sample, and Xray absorption edges

2008-09-25 Thread Jim Pflugrath
There is ALWAYS anomalous scattering. You do not have be at the absorption edge to get it. The question is just whether your experiment is good enough to detect it. So your question of "overlapping" always has the answer Yes, but I would remove the words "absorption edge" from your question.

Re: [ccp4bb] disulfide bonds, SE sample, and Xray absorption edges

2008-09-25 Thread George M. Sheldrick
Unexpected peaks in a S-SAD experiment sometimes turn out to be chloride, sulfate or a metal ion. I would suggest that you run shelxd with and without the disulfide option (or with different numbers of disulfides) to see which is best, and also run SHELXE with the -b flag set. This will produce