Hi All, I have a questions for refinement of a partially hydrolysed GMPPNP structure. From the Fo-Fc difference density, I can tell part of the density for the gamma phosphate represents the original gamma phosphate of GMPPNP, and part of the density represents PO4- ion which is the product of GMPPNP hydrolysis. I tried to model both molecules (GMPPNP, and GNH+PO4-) and give 0.5 occupancy for both molecules. Obviously the refinement did not work because 2 molecules are too close to each other.
The questions is: how do I set up the phenix.refine so that the 2 molecules can be refined together. Thanks a lot! Friday ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
