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
