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Dear all, Sorry for non ccp4-related question. I am trying to solve structure of an inhibitor-enzyme complex at 2.6A resolution. The enzyme complex bound to other ligand has been determined previously at 2.4A resolution and has space group C2. Our complex crystallized with similar condition to "C2 form" but have a defferent space group by process using d*trek which indicates P3(1)12 or P3(2)12. (Rmerge=7.1(35.2)%, Completeness=97.6(96.6)%, parenthness is last shell [2.71-2.60] ) In P3(2)12, the structure was successfully deterimined by MR using C2 form as a search model. There is one molecule in the asymmetric unit which makes dimer structure related with crystallographic 2-fold axis. After one cycle refinement using simulated annealing, positinal minimization and B individual in CNS, R and Rfree value dropped down only 36.0% and 41.5% respectively. Twin is not deteced from cumulative intensity distribution and 2nd moment of intensity of TRUNCATE(ccp4). Does anyone have the same experience and please any comments about this! Regards, Masaichi Warizaya Astallas Pharma Inc. mailto: [EMAIL PROTECTED]
