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It seems the authors have just chosen a different “parent” molecule to submit to the pdb for these two entries, it has nothing to do with the REMARK cards. It would have been “nicer” if they would have submitted the equivalent “parent” molecule, but the unit cells have a relatively big difference anyway (81-81-136Å for 2zam; 75-75-132Å for 2zan), so without running a superposition the structures don’t superimpose well anyway. If you want to compare the packing of the two entries in a figure, I would just generate the symmetry equivalents in a big enough sphere in Pymol, and then keep the 6 equivalent ones of each that you want, un-showing or deleting the others by hand. Note that if you superpose 2zan onto 2zam and then include the CRYST1 card of 2zam, you are generating the packing for 2zam, not 2zan, so that does not make scientific sense. Mark J van Raaij Dpto de Estructura de Macromoleculas Centro Nacional de Biotecnologia - CSIC calle Darwin 3 E-28049 Madrid, Spain tel. (+34) 91 585 4616 http://wwwuser.cnb.csic.es/~mjvanraaij > On 2 Feb 2017, at 04:00, Smith Lee <[log in to unmask]> wrote: > > Dear All, > > I have a symmetry problem, which I hope I can get your help. > > For both PDB 2zan and 2zam, they are for the same protein, they conformation were similar except that 2zam was apo and 2zam was ATP binding. 2zaz was got by soaking the 2zam crystal with ATP. Both were P65 space group > > However by getting the mates of 2zam and 2zan, you will find their 6 mates arrange differently. Can you explain to me why their 6 mates arrange differently? > > What is more, by pymol I align 2zan onto 2zam, and I get the PDB for 2zan fitted to 2zam (no any remark information left after pymol saving). Then I add all the remark information from 2zan to the PDB for 2zan fitted to 2zam, and then I view the mates for the remark added PDB for 2zan fitted to 2zam, I find the 6 mates arrange like 2zam, rather like 2zan. > > Thus, will you please explain whi ch remark information decide the mate arrangement, as in the remark added PDB for 2zan fitted to 2zam? Why after pymol alignment, the same remark information leads to different mates arrangement? > > I am looking forward to getting a reply from you. > > Smith