Refinement in CNS

[Alan Riboldi-Tunnicliffe]

Hi Everyone

I have recently solved a structure to 2.4A with resonable R and Rfree,
and have used this data to try and solve an inhibitor complex, however
this data is only realy good to between 2.9 - 3.0A.

I dont think this is enough to allow Bfactor refinement (is this true)?

If I run a round of Rigid body refinement on the data I get resonable R
and Rfree, however, if I put this into minimize the R and Rfree
increase. Is this simply due to the data being low resolution, or is it
possible to run a round of Minimization on 3.0A data and get a
reasonable result ?

Thanks in advance for any comments

Alan

atunni at imb-jena.de