<div dir="ltr"><div><div><div><div><div><div>Dear all, <br><br></div>I am refining my structure (data at 3 A), with a model that is complete. However the Rs values are: R work= 0.25 and Rfree= 0.32. I have read "Improved target weight optimization in phenix.refine" (In the computational crystallographic newsletter 2011) and what I understand is that just by marking the boxes "improve xray/stereochemistry weight" and "improve xray/adp weight" it should work... giving me the best possible Rfree. <br><br></div>I'm refining individual coordinates, occupancies, b-factors (isotropic for all atoms), TLS, and using secondary structure restraints, automatic ligand linking and experimental phases restraints. Also, I chose this strategy because I have finished building the structure and according to some of the suggestions in "towards automated crystallographic structure refinement with phenix.refine".<br><br></div>I am actually quite confused and don't know what to think... is it a matter of the weights? is it only that this is as good as it gets? <br><br></div>Any suggestions and comments are welcome. <br><br></div>Thanks a lot in advance, <br><br></div>Best, <br><br>Almudena<br><div><div><div><div><div><div><div><div><div>-- <br><div class="gmail_signature"><div dir="ltr">Almudena Ponce-Salvatierra<div>Macromolecular crystallography and Nucleic acid chemistry</div><div>Max Planck Institute for Biophysical Chemistry</div><div>Am Fassberg 11 37077 Göttingen</div><div>Germany</div><div><br></div></div></div>
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