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
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