Dear Melanie
On 2 Mar 2010, at 15:09, Melanie Vollmar wrote:
> Hi all
>
> I did my first deposition of a BUSTER refined structure and I was
> very surprised when I was asked for an "estimated error of free R
> value" and "estimated error of bin free R value" as well an "ESD
> based on Luzzati Plot" during the deposition process.
>
> I had a detailed look into the refinement log file and I tried the
> Buster documentation but I have absolutely no clue where I can find
> these values.
>
> Can someone give me a hint where I can find some information about
> this or where the values are in the log file? If they are not listed
> anywhere, in which way do they have to be estimated? And what is a
> Luzzati Plot? I have never heard of such a plot before...
>
For example, page 305-307 of Jan Drenth 'Principles of Protein X-ray
Crystallography' Second Edition, Springer.
However, as pointed out by Cruickshank* (1999) a Luzzati (plot of R
versus 2sin theta/lambda) was not really developed to give final errors.
*Acta Crystallogr D Biol Crystallogr. 1999 Mar;55(Pt 3):583-601.
Remarks about protein structure precision.
Best wishes
Roberto
>
> Thank you very much.
>
> Cheers
>
> Melanie
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