Dear Tom, Q1: Are you really supposed to posting this information here? Q2: Is there really NOT anyone you can ask in your own department to help you with this?
Some initial hints/ideas/suggestions though - although I actually assume this is meant to be a learning exercise for you …? 1) Have you got the correct spacegroup? 2) Have you got enough molecules in the asymmetric unit? 3) Do your placed molecules pack together to form a sensible crystal lattice? Tony. On 27 Mar 2013, at 16:22, Tom Van den Bergh <[email protected]<mailto:[email protected]>> wrote: Dear members of ccp4bb, I need some help with the refinement of my structure of a variant of mRFP (monomer red fluorescent protein, sequence in attachment). I have done molecular replacement with phaser with model 2VAD of protein database. Then i have done some model building phenix.autobuild. (2 pdb's (overall...), freeR flags and log file attached) When i refine with phenix.refine my structure i get a R-value of 0,42 which is still way too high. (redfluorescent protein.pdb, .mtz and logfile attached) When i look at the structure in coot i find many unmodelled blobs and many outliers in density analysis and rotamer analysis. The problem is that there are so many problems with my structure, that i dont know where to begin. Could you try some refinement for me, because this is first structure that i need to solve as a student and i dont have too many experience with it. Greetings, Tom <overall_best.pdb><exptl_fobs_phases_freeR_flags.mtz><overall_best_placed.pdb><redfluorescentprotein_refine_10.pdb><redfluorescentprotein_refine_10.mtz><mRFPsequentiezondertag.fasta><redfluorescentprotein_refine_10.log><AutoBuild_run_6_1.log>
