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-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 How did you create to this model? Was the gap between R and Rfree this high from the very beginning? If not, try to find out where the gap became so high. - - did you introduce too many water molecules? You can overfit your data this way by pretending noise were waters - - do you have to tighten the weights of stereochemical restraints? If you use refmac5, try setting it to 'AUTO' or something below 0.1. A good indicator off the weight being too high is the list of rmsd's at the end out the refmac5 logfile. Look at your difference map (fofc) at +/- 3 sigma, not 2 sigma. You want that map to show as little density as possible (either 3 or 2 sigma, but 3 is more realistic, I dare say). Tim - -- Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A On Wed, 5 Jul 2006, [gb2312] Li Sheng wrote: > *** For details on how to be removed from this list visit the *** > *** CCP4 home page http://www.ccp4.ac.uk *** > > > Hi, dear all, > > Please do me a favour. I ever collected a data set of 2.7A. The space > group is C2. The model fit the 2fofc map and the omit map very well. The > R factor > is 0.26 now but R free is 0.37 and can not be minished. What kind of > error can cause such a gap between R factor and R free? > Thanks in advance. > > > Sincerely yours, > Li > 2006.06.07 > -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.1 (GNU/Linux) iD8DBQFEq8PcUxlJ7aRr7hoRAmpBAJ49RvoOuaXYNtD0S/ErcqCctbsHUgCg9+rG 8xzBUsvicmQqcAYD62OU+K4= =Pb/D -----END PGP SIGNATURE-----
