Hi
If you want to integrate anisotropically, Mosflm has allowed it since
late in the last Century.
However, the last time I mentioned it to Garib he said that he'd prefer
to have the data integrated isotropically (even the data that "aren't
there becasue they're too weak").
On 22 Nov 2007, at 13:43, Kay Diederichs wrote:
Pierre Barraud schrieb:
Dear all,
I am working on a data set which is severely anisotropic, with
diffraction limits of 2.6 A along the a* and b* direction but only
3.3 A along the c* direction. I attached a screen shot of the
Anisotropic analysis (FALLOFF) output graph from SCALA.
My question is : what is the best strategy (or what are the different
strategies) in the structure resolution process (from image
integration to refinement) to make use of the maximum high resolution
information ? Actually, I am a little disorientated by the
informations I have collected.
Best regards,
Pierre
Pierre,
as you found, data integration is not harmed by anisotropy.
The relevant programs for structure solution and refinement (e.g.
sharp, molrep, phaser, refmac etc.) deal explicitly with anisotropy; I
don't think there there is a compelling need to do something fancy.
Others will correct me.
If you _do_ want an anisotropic resolution cutoff, you could use
sftools. Load all your data (i.e. up to 2.6A) into sftools. Then
multiply the length of the c axis by a factor of 2.6/3.3 , and let
sftools delete all those reflections that are beyond 2.6A now. Then
restore the original c axis and write out the remaining data.
HTH,
Kay
--
Kay Diederichs http://strucbio.biologie.uni-konstanz.de
email: [EMAIL PROTECTED] Tel +49 7531 88 4049 Fax 3183
Fachbereich Biologie, Universität Konstanz, Box M647, D-78457 Konstanz
Harry
--
Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills
Road, Cambridge, CB2 2QH
