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*To*: ccp4bb@dl.ac.uk*Subject*: [ccp4bb]: r_free problem*From*: "Nazzareno Dimasi, Ph. D." <dimasi@carb.nist.gov>*Date*: Wed, 06 Dec 2000 10:01:49 -0500*Organization*: Center for Advanced Research in Biotechnology http://www.carb.nist.gov*Sender*: owner-ccp4bb@dl.ac.uk

*** For details on how to be removed from this list visit the *** *** CCP4 home page http://www.dl.ac.uk/CCP/CCP4/main.html *** Dear CCP4 users, I would like to pose a question concerning refinement in R32 space group. The refinement problem come after the first cycle of simulated annealing, in the sense that I get r=0.36 and r_free=0.59. I'm not able to get down the r_free value. I think that the molecular replacement solution is right and the electron density map (2fo-fc) and the composite_omit_map calculated using value of r=0.40 and r_free=0.42 are reasonable. I'm a lit a bit confused and I don't know how to deal with this r_free problem. Is this a hand problem so I have to change space group or is something else? Can anyone give some suggestion how to move on. Regards Nazzareno.

**Follow-Ups**:**Re: [ccp4bb]: r_free problem***From:*"Fred. Vellieux" <vellieux@ibs.fr>

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