Re: [ccp4bb] Unidentified density

2012-02-09 Thread Vandana Kukshal
hi sudhir, i think in second snapshot you can fit MPD as its structure is seems similar. . On Fri, Feb 10, 2012 at 11:36 AM, Sudhir Kumar wrote: > Dear all, > I have a 2 A structure of an enzyme which show 12 molecules per > asymmetric unit. While placing waters i found out some blobs wh

[ccp4bb] a story of Orotidine 5'-Monophosphate Decarboxylase

2012-02-09 Thread Kevin Jin
Dear All, I wrote a story for the catalysis of Orotidine 5'-Monophosphate Decarboxylase. http://www.jinkai.org/Enzymology.html I hope you will like it. Regards, Kevin

[ccp4bb] before doing an elisa or buying a dye for affinity measurement....

2012-02-09 Thread Paul Kraft
assuming your protein has a Y or a W...before buying a dye or trying an elisa, it would be cheapest and easiest to check for Trp or Tyr fluorescence changes upon adding the inhibitor. If the structure or a structural homolog is known of one of the proteins and you know the interface, a simple PC

[ccp4bb] Summary on Aspartate pKa increase and catalysis

2012-02-09 Thread Deepak Oswal
Dear colleagues, I appreciate your help in interpreting the pKa shift. Based on all the suggestions, I have several new leads to be able to come up with a tentative mechanism. I am summarizing the discussion below – The pKa of a catalytically critical aspartic acid has increased to 6.44. It is hy

Re: [ccp4bb] Collecting small-molecule diffraction on a Macromolecular xtallography beam line

2012-02-09 Thread Giorgio Giardina
You have been all wonderfully helpful. The landscape is crystal-clear now. Thanks to everybody. Giorgio

Re: [ccp4bb] Generating parameters/cif files for macrocyclic ligands

2012-02-09 Thread Herman . Schreuder
Hi Joe, Non-natural amino acids and links etc. remain a moving target. Almost every year, refinement programs change the way these things are specified. Here is how I would do it: 1) search the protein data bank to see if your non-natural amino acid is already present somewhere. If yes, use the

Re: [ccp4bb] Collecting small-molecule diffraction on a Macromolecular xtallography beam line

2012-02-09 Thread Gordon Leonard
Hi Giorgo, Just to say that we routinely, and often, do these sorts of experiments on ID29 and ID23-1 at the ESRF using an energy of 20 keV (~0.62 Angstrom wavelength) and detector distances that allow collection of data to a resolution of better than 0.7A. Mini-kappa goniometers also allow