Hi, I dare to say about the possible way to do molrep from my recent experience. You can choose "rotation and translation function" job at first and do the self rotation fuction (for multimer) after that.Each of these run will generate two different outputs *_rf.molrep_rf ans *_srf.molrep_rf. Make the third run inputting both of these peak values. Give NMON as 4. You can also use the protein sequence hare.
Then refine it with Refmac, that again should decrease your R factor. I will be highly benefitted if some one point out my mistake. regards Debajyoti On Fri, 25 Jul 2008 Carl Soja wrote : >Dear all > >I tried to solve one structure by ccp4i molrep(resolution at 3.0 A, space >group C222, sequence ID 30%). I can get a good Rfactor 0.528 at first >translation function. However, the second translation function Rfac is >0.526, the third is 0.525, the fourth is 0.525. All of the translation >function Rfacs are too closed. I changed the model and minimum resolution >for search, the Rfactor closed no any improved. My structure estmates four >molecules in the aymmetric unit. This is my first time found the closed Rfac >by molrep. From the low translation function Rfac, it seems that it is >correct solution. I checked the solution and found some clashes in the >structure.I am not sure why the Rfactor too closed in next the molecule >search? I know this is unusual solution by molrep. Does it mean the >diffraction data has problem? >Any suggestions are welcome.Thank you in advance! > >Carl soja
