Regarding suggestions that the pdb or the IUCR to tell us what to do: IMO -
Neither of the usual solutions - (a) deleting side chains when there is no density or (b) letting B factors go where they will - is without problems (this is clear from the ongoing discussion). I would be really unhappy if some authority unilaterally imposed either of these solutions on the protein crystallographic community. Sue Dr. Sue A. Roberts Dept. of Chemistry and Biochemistry University of Arizona 1041 E. Lowell St., Tucson, AZ 85721 Phone: 520 621 8171 s...@email.arizona.edu http://www.biochem.arizona.edu/xray