Dear all, This is my first mail to CCP4BB.
I'm now refining crystal structures of an enzyme at a resolution of 1.5A using refmac5 through CCP4i. Before X-ray data collections, the substrate and co-factor ions were soaked into the crystals. Their occupancies seem to be less than the unity because negative peaks can be found around the substrate and co-factors in the difference Fourier maps. I found "Developers Options" in the CCP4i window of refmac5 to specify an external keyword script file. If refmac5 can refine occupancies of substrate and co-facotrs independently, by using the script file, under the condition of fixed temperature factors, please let me know examples of the script files and how to use them. Best wishes, Nobuo Kamiya ********* Prof. Nobuo Kamiya email: [EMAIL PROTECTED] fax: +81-6-6605-2557 tel: +81-6-6605-3131 Osaka City University 3-3-138, Sugimoto, Sumiyoshi, Osaka Osaka 558-8585, Japan *********
