[ccp4bb]: helps for R factor

[Szilvia Szep <szilvia@mail.med.upenn.edu>]

***  For details on how to be removed from this list visit the  ***
***          CCP4 home page http://www.ccp4.ac.uk         ***

Dear colleagues,

I am a new user of ccp4i. I have a 3.5A protein/DNA complex data set.
There are 2 monomers in one au. I have fitted all main chains into
density. However my free R factor hangs over 0.40 and overall R 0.26.
Did I overrefine the structure? my B factor is very high (over 200 in
most region). When I collected my data, I did find my crystal was very
anisotropic. How should I refine my structure with refmac? Should I
include TLS refinement? How about B factor? Since I have DNA, do I need
put some restraint? I failed with CNS refinement. Any suggestions will
be highly appreciated!
please send email to ni2@mail.med.upenn.edu

jenny