> As I understand, P22121 should be fine to process (and deposit in the PDB); and there is no need to reindex to HM convention P21212.
No need to, but trivial and then in conformance with the ITC. If we have a standard listing in ITC, why not use it? Having different symbols/settings for the same SG only adds complexity to data mining without providing a tangible benefit. Ergo, non-parsimonious and fails Occam's razor which in turn follows form Bayes (Jefferys, W.H. & Berger, J.O. (1991). American Scientist 80, 64-72. Sharpening Ockham's razor on a Bayesian strop). Best, BR Numquam ponenda est pluralitas sine necessitate Multitude must never be proposed without necessity