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Hi Mousheng,
what's your space group ? Are you certain you are in the correct space
group ? How did you solve your structure ? De novo or MR,. if MR have
you tried composite omit maps and ensured that what you have modeled is
indeed correct and not model bias from the MR solution ? Is there a
significant drop in I/sigI ? Then you might use that as your resolution
cutoff - data processed with HKL, Mosflm or XDS ?
Juergen
Wu Mousheng wrote:
Dear all,
I am refining my model with 2.0A using CNS. I have fitted most of the
protein sequence into the model (150 of 160 aa). I also added 100
water molecules into the model. The final R and Rfree factor are about
26% and 28%, respectively. I am wondering why I can not refine my
model to low R and Rfree factors below 25%. The geometry of my final
model is very good. 96% residues are in most favorable region.
I think my data is quite good. I/sigma(unaverage) and completeness at
highest resolution shell is 2.3 and 99%. Rmerge is about 6%.
Redundancy is about 5.
Is my model acceptable based on the R and Rfree factors? Is there any
reason for the high R and Rfree factors?
Thanks!
Best,
Mousheng Wu,
Institute of Molecular and Cell Biology, Singapore
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