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Hi Richard, RMSD of 0.7A for lysozyme is o.k. The deviations are dominated by flexible loop regions in lysozyme. Excluding such residues yield to RMSD of 0.3-0.5A. An article about a systematic comparison of lysozyme in 5 different space groups was just accepted in Acta D, Brinkmann et al. Christian :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::: Dr. Christian Brinkmann HASYLAB - DESY -R 451- Notkestr. 85 22607 Hamburg Germany Fon: +49-40-8998 3239 Email: [EMAIL PROTECTED] :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::: Am Dienstag, 17. Januar 2006 15:40 schrieb Richard Gillilan: > *** For details on how to be removed from this list visit the *** > *** CCP4 home page http://www.ccp4.ac.uk *** > > > I was surprised when I compared the high-resolution structures of > lysozyme grown in three different space groups. The overall backbone > RMSD were 0.7A. This seems large to me, I remember reading somewhere > that 0.25A was more typical of identical proteins grown by different > groups under different conditions. Is anyone aware of a systematic > comparison of identical proteins in different space groups? > > When looking for small changes in protein structure induced by ligand > binding, one should ideally compare like space groups, but that is > often not possible. The case is strengthened when similar changes are > seen in different space groups. Does anyone have advice to offer on > how to separate packing effects from true ligand-induced changes in > ambiguous cases? > > Richard Gillilan > MacCHESS
