Hi everyone
I am new to solving crystal structures so apologies for the simple question I am solving a structure using molecular replacement. I have refined my structure with refmac however the R-factor and R-free do not seem to go down with successive rounds of refinement. The initial value was 0.49 (after 20 cycles of rigid body refinement). After analysing the output and a further 20 cycles of refinement, the R-factor is now 0.48. I would like to know if it is ever worthwhile to continue refining a structure when the initial R factors are so high? If so, what could I do to improve the refinement? Thanks for your suggestions Best regards Sylvia Fanucchi Ph.D Protein Structure-Function Research Unit East Campus, Gate House Room 416 School of Molecular and Cell Biology University of the Witwatersrand Johannesburg 2050 South Africa Tel: +27 (11) 717-6348 Fax: +27 (11) 717-6351 E-mail: sylvia.fanuc...@wits.ac.za <mailto:sylvia.fanuc...@wits.ac.za> <html><p><font face = "verdana" size = "0.8" color = "navy">This communication is intended for the addressee only. It is confidential. If you have received this communication in error, please notify us immediately and destroy the original message. You may not copy or disseminate this communication without the permission of the University. Only authorized signatories are competent to enter into agreements on behalf of the University and recipients are thus advised that the content of this message may not be legally binding on the University and may contain the personal views and opinions of the author, which are not necessarily the views and opinions of The University of the Witwatersrand, Johannesburg. All agreements between the University and outsiders are subject to South African Law unless the University agrees in writing to the contrary.</font></p></html>
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