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Dear ,
the Wilson plot is only meaningful with data better than 4A. Since your
data extends to only 3A (and according to your I/sig(I) stats you pushed
that limit a little...), you may have too little data for a good fit.
That's only one possibility. Your data may have ice rings resulting in
poor intensity estimates, are the atoms may indeed have low B-values and
the reason for limiting the resolution may have a different source than
usual,...
Tim
On 03/05/2012 04:16 PM, anna anna wrote:
> Dear all, I hope you can help me!
> I solved a structure at 3.0 A res and everything is quite satisfactory, my
> only concern is the discrepancy between
> the B factor from Wilson plot (58.8 A^2) and the average B (36.9). It seems
> strange, usually the opposite occurs...
> What does it mean? Which may be the reason? What can I check?
> Some details:
> Rmerge: 15.0 (51.8)
> I/ó(I): 7.30 (1.84)
> 5 monomers/AU
> R/Rfree: 19.7/23.3
> ...ask for other infoes if you need.
>
> Any advice/suggestion is welcome!!
>
- --
- --
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
GPG Key ID = A46BEE1A
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