Hi, The "B factors" reflect the rapidity of the decrease in intensity of scattering with increasing resolution. The scattering of a crystal becomes unmeasurable at a lower resolution if its intensities drop faster. This results in a connection between the resolution of a data set and the average B factor of the atoms in the resulting model. With lower resolution come higher B factors.
It is inevitable. It cannot be avoided. An average B factor of 82 A^2 for a 2.65 A data set actually sounds low to me. Are you taking the TLS contributions into account when calculating this average? In any case, you certainly shouldn't be worrying about your "high" B factors. Dale Tronrud On 11/8/2018 4:30 PM, Anandhi Anandan wrote: > Hello everyone, > > > I am trying to solve the structure of a protein with a bound ligand at > 2.65 A resolution. XDS was used for data reduction, phaser-MR for > molecular replacement and Phenix for refinement. The refinement was > done with the default settings ( individual B factors, occupancy and TLS > parameters). The resultant atomic B factors are quite high. The overall > B factor is 82 with a minimum value of 34.57 and maximum of 225.13. I > would like to know if any of the data reduction parameters can affect > the B factors and how best to deal with this issue. > > > Anandhi > > > > > ------------------------------------------------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
