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With respect to water structure in Xtal structures. I have studied water "order" (or should that be sensibility) within xtal structures by studying water shell statistics. It is possible to divide xtal structures into 2 camps. The first show some sensible water shell structure that correlates to resolution etc (40% of structures). The remaining structures with water show no sensible correlation of water position and water shell structure (even high resolution structures - remember this Keith - that was not the only one !) One can only assume that there is 2 schools of thought - 1) water is part of the problem of model building 2) water is the solution to residual reduction. When studying properties of proteins, data mining and such like, I use statistical analysis of water (along with B-value analysis and others) to make structure selection for further analysis. So Pheobe, that is life. Tom