Please disregard this message. I have secured internal assistance - I failed to generate Fcalc and Phicalc in SFall, I understand how to do this now.
Thanks, Celeste ----- Original Message ----- From: Celeste MacElrevey To: CCP4BB@JISCMAIL.AC.UK Sent: Friday, July 06, 2007 3:56 PM Subject: [ccp4bb] PDB-derived SF to map Good afternoon bb, I am at a loss, and I am hoping someone will take the time to help me. I am trying to generate an electron density map, using SFs and coordinates obtained from the pdb. Please feel free to refer me to appropriate threads, I'm having trouble finding them. I have generated an mtz file with hkl, F and sigma. Using FFT I made a simple map - but putting it up in Coot, along with the PDB file I used in FFT, I'm getting a non-sensical map. Clearly, I'm neglecting something important. The log file indicates that it is picking up the space group info (P212121). I don't have a lot of experience trouble-shooting maps in CCP4i. Any advice would be much appreciated. The EDS can't calculate maps for this structure either, it errors out due to R-factor discrepancy. Many thanks, Celeste Celeste M. MacElrevey, Doctoral Candidate Department of Biochemistry and Biophysics, Box 712 University of Rochester, School of Medicine and Dentistry 601 Elmwood Ave. Rochester, NY 14642 (585) 276-0346
