Dear CCP4bb community: My data set was indexed assuming the space group "I 2 3" (SG number 197), however it is indistinguishable from "I 21 3" (SG number 199). Refinement was carried out initially by a colleague in Phenix picking the SG "I 21 3" from the two listed SG (this is the correct one judging from refinement results). Now, I'm conducting some "polishing" tasks and comparing results from Phenix and Refmac. However, 1) I cant't see the option in Refmac to choose the "alternative" SG, and 2) Is it need to repeat the indexing in the final SG? Does it create some conflict with the refinement task conducted so far (i.e. different data flagged for Rfree)? Thank you in advance
SG in mtz: I 2 3 SG in pdb: I 21 3 (this is the correct SG) Ezequiel ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
