One practical point: I had the same experience recently with a structure that had been worked on by others previously. Refmac was automatically picking up a data column from some earlier work, unknown to me, rather than the observed data from XDS and the R-factors were sticking at the values you have. So, stating the very obvious, sorry, it would be worth double-checking which data are being used as the refinement target.
Sent from ProtonMail mobile -------- Original Message -------- On 7 Mar 2022, 08:39, Mudassar Ali Khan wrote: > Dear all, > > I am trying to solve an x-ray structure of a protein for which the structure > is not available. I have performed data reduction using XDS followed by > Aimless (output file attached herewith). Molecular replacement was performed > using Phaser MR (CCP4i) with modelled structure followed by rigid body and > restrained refinement. In coot, the electron density is fitting well with the > structure, however, I am not able to reduce the R-work and R-free beyond 0.43 > and 0.46 respectively. > > I have also tried the same with Phenix, but the R-work and R-free were almost > the same as obtained from ccp4i. > Any suggestion to reduce R-work and R-free will be greatly appreciated. > > Thanks! > > Regards, > Mudassar Ali Khan > Graduate student > KS-101, Varma Lab > Advanced Centre for Treatment Education and Research in Cancer (ACTREC) > Navi-Mumbai, India > > --------------------------------------------------------------- > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
