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Hi Mousheng,
There could be many things going on with your data and during refinement
as well that might be working looking into.
If you haven't already done so, to rule out any suspicions wrt seemingly
innocuous reflection data, run your data through CCP4i or XTRIAGE
reflection tools to look for twinning etc.
Raji
S.G. Jackson wrote:
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Hey Mousheng,
Have you checked your data carefully for twinning?? I am a new
graduate student and dont have alot of experience but from what I
understand certain forms of twinning can go undetected during structure
solution but can hinder your refinement.... hope this helps.
Sean
On Fri, 25 Aug 2006 18:51:40 +0800
"Wu Mousheng" <[EMAIL PROTECTED]> 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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