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<div class="">Dear all,</div>
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<div class="">I am refining my structures at 2.5 A. The model is well fitting in the electron density. I already add water and ligands. </div>
<div class="">I’m trying these options (XYZ coordinates, real-space, TLS parameters, Individual B-factors, Optimize X-ray/stereochemistry weight, Optimize X-ray/ ADP weight, Reference model restraints, Use secondary structure restraints, Simulated annealing
(Cartesian), Automatically correct N/Q/H errors) to refine the structure but the R-free still be high.</div>
<div class="">The reference model is 98% identity with the structure that I’m building. After refining, the R-work always decrease while R-free increase. My last values for R-work is 0.2501 and for R-free is 0.3246.</div>
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<div class="">I’m lost and don’t know what to try more.</div>
<div class="">Can anyone could explain me what happens here ? What others options that I could use to optimize R-free value ?</div>
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<div class="">Thank you in advance !</div>
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<div class="">Hang Pham</div>
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Hang Pham, Ph.D Student,<br class="">
The Doucet Lab<br class="">
Centre Armand-Frappier Santé Biotechnologie<br class="">
Institut National de la Recherche Scientifique (INRS)<br class="">
Université du Québec<br class="">
Réseau International des Instituts Pasteur<br class="">
531 Boulevard des Prairies<br class="">
Laval (Québec) H7V 1B7 CANADA<br class="">
Téléphone : (450) 687-5010, poste 4210<br class="">
Site web: <a href="http://www.profs.inrs.ca/ndoucet/" class="">http://www.profs.inrs.ca/ndoucet/</a></div>
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