Dear Phenix community members,

 

I have a molecular replacement solution refined agains a twinned 2.7 angstrom data to Rfree as 33%, with TLS and twin-law and others as default.  The map looks good and shows extra map for my flavin ligand.  Then I manually rebuild the model, fixing some obvious off-map residues and put a flavin molecule into the model.  After this, I used the *def file from previous run to do another round of refinement.  This time the Rfree increased to 36%.  I realized that it has something to do with the TLS, isotropic and aniostropic B factor.  However, I don't know exactly what's the reason and what to do at this stage.  Any comments or suggestions?  Should I do TLS refinement at the last step?

 

Thanks and Best Wishes for all,

 

Hua