What program do you use for refinement? FF Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel
Acta Crystallographica F, co-editor e-mail: mbfro...@post.tau.ac.il Tel: ++972-3640-8723 Fax: ++972-3640-9407 Cellular: 0547 459 608 On Nov 9, 2012, at 20:09 , SD Y <ccp4...@hotmail.com> wrote: > Dear All, > > Thanks for all the suggestions on low resolution, SG and Zn and I learned a > lot. I am not done yet. > > I am trying model co-ordinated ZN+2. I got lot of help from Prof. Roger > Rowlett. Also an excellent protocol is available at > http://capsicum.colgate.edu/chwiki/tiki-index.php?page=Model+Refinement. > Protocol seems to be very straight forward. I am not getting the result I > wanted. > > 1. When ever I generate cif file, its not writing any for ZN-SG links at all. > > 2. After refmac refinement it only draw in LINK for His-ZN. Please see the > images > https://www.dropbox.com/s/7sl01pcdmxxcu2z/ZN-cpoordination-1.png > https://www.dropbox.com/s/cxlp2m2stbple02/ZN-cpoordination-2.png > > 3. I get this His-Zn link without using .cif file, so what stage do I use > this .cif file? > > 4. Though cysteines were placed around 2.2 - 2.5 A from ZN, its not writing > LINK in PDB. I only see > LINKR ZN ZN H 1 SG CYS A 83 ZN-CYS > > I dont know what is missing, I also attached the log file which generated the > ZN-His coordination. > > Any help is highly appreciated. > > Thanks > SDY > > Date: Thu, 8 Nov 2012 14:36:59 +0200 > From: mbfro...@post.tau.ac.il > Subject: Re: [ccp4bb] low-resolution and zinc > To: CCP4BB@JISCMAIL.AC.UK > > The experiment should be very problematic if I can't determine point group on > the base of the symmetry merging statistics. > Watch CHI2 :-) > Dr Felix Frolow > Professor of Structural Biology and Biotechnology, Department of Molecular > Microbiology and Biotechnology > Tel Aviv University 69978, Israel > > Acta Crystallographica F, co-editor > > e-mail: mbfro...@post.tau.ac.il > Tel: ++972-3640-8723 > Fax: ++972-3640-9407 > Cellular: 0547 459 608 > > On Nov 8, 2012, at 14:29 , herman.schreu...@sanofi.com wrote: > > Then we agree. I got confused because you mentioned"space group" and not > "point group" in your phrase about PHASER and MOLREP and was afraid others > might have gotten confused as well. Also, in case of twinning or almost > crystallographic non-crystallographic symmetry, determining the point group > on the basis of processing statistics alone can be inconclusive or even > misleading. If I recall correctly, there has recently been a thread about > this in the bulletin board. > Herman > > > > > <74_refmac5_1.log>
