Dear Francesco,
your Rms BondAngle is very high. Try to reduce the weight until it is about
1.7 - this should increase the R-factor and possibly lead to a meaningful
difference map.
You only have <9,000 unique reflections. What fraction did you use for Rfree?
If they are too few, it may affect the automated weighting scheme.
If you are confident your model is more or less correct, you could try to
refine against all reflections, ignoring Rfree. Once you are done, you can
calculate Rcomplete instead of Rfree for publication - with less than 20,000
total reflections quite reasonable.
Best,
Tim
On Monday, August 22, 2016 03:20:13 PM Francesco Papi wrote:
> Dear Mohamed and Herman,
>
> As regards the ice rings, I have already eliminated them when I
> processed data by using XDS. I apologize for the Aimless log file I sent
> you, but my unix computer is out of order and I have only my windows
> laptop. I processed data again by Mosflm after first Mohamed e-mail, but
> it has been the first time I used Mosflm and I forgot to put the option
> for excluding ice rings.
> I have tried to refine the structure by cutting the resolution range up
> to 2.0 angstrom but nothing significant happens (attached image).
>
> Thank you
>
> Francesco
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Paul Scherrer Institut
Dr. Tim Gruene
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Principal Investigator
Biology and Chemistry
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