[phenixbb] Re: Temperature shift alters unit cell of insulin: an issue

Hi Esra, This results from a rearrangement of molecules in the crystal, such that a different spacegroup results. At 100K it is most likely cubic insulin, spacegroup I 21 3; there are several structures in the PDB, e.g. 1APH. Your 200 and 300K are in spacegroup R3 (or H3); again there are several structures in the PDB, e.g. 1BEN. I'd expect that this transition has been observed by others, and is published. HTH, Kay