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Hello, you have to lower the weight between crystrallographic and geometric data. That is the matrix keyword. I think the default is 0.3, which in my experience is much to high at the beginning of refinement. You can try setting it to AUTO instead of a number and let refmac figure it out for you. If the protein is still distorted, lower the value until the geometric statistics look reasonable. Tim -- Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A On Fri, 2 Dec 2005, [gb2312] Àî°º wrote: > I used refmac5 to refine a structure out from MR. But it seems > the geometric parameters of the output model are really bad, > only 50% residues are in core region of Ramachandrans plot, all > output from procheck are not good, Rfree value of the model is about > 45%. Can someone give any suggestions? Is there any special > parameters needed when the refinement is on some initial moder? > I didn't met such problem on models that are almost correct. > > Any help are thankful! > > Yuhe Liang > > > >
