Hi Pavel,

Obviously higher resolution typically means a more accurate atomic model of a 
crystal structure, but I also think that a 1.05 Ang structure is only going to 
provide you with a great deal more insight than a  1.1 or 1.2 Ang structure in 
very specific cases. Particularly if your stats aren't completely ideal , why 
not make sure you get the best possible stats out of your data by slightly 
cutting the resolution, which is still going to leave you with a VERY high 
resolution data set (at least I would consider 1.1 or 1.2 Ang as very high 
resolution)?


Please forgive my ignorance, but I have to admit I haven't researched this 
topic. Is there something wrong with using TLS refinement coupled with 
anisotropic refinement in Refmac? I just checked and I have found that TLS 
still provides a small drop in the R factors when comparing anisotropic 
refinement to TLS + anisotropic refinement in the 1.2 Ang data set I'm 
currently working on. Ok, it's just under 0.5%, which I admit isn't a huge 
change, but shouldn't I take any improvement I can get?


Cheers,


Tony


------------------------------------------------------

Dr. Antonio Ariza
University of Oxford
Sir William Dunn School of Pathology
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