Hi all, I am struggling with the MR of a homo-dimer using Phaser. Matt_coeff strongly suggests the presence of 4 mol per asym unit (space group P6222). The results after a search of 4 mol per asymmetric unit of my monomer are the following:
** SINGLE solution ** Solution written to SOL file: phaser_3f6v_A1_MOLREP.sol ** Solution written to PDB file: phaser_3f6v_A1_MOLREP.1.pdb ** Solution written to MTZ file: phaser_3f6v_A1_MOLREP.1.mtz Solution annotation (history): SOLU SET RFZ=3.9 TFZ=8.5 PAK=3 LLG=65 TFZ==10.0 RFZ=2.6 TFZ=17.0 PAK=3 LLG=326 TFZ==29.8 (& TFZ==22.5 & TFZ==19.7) LLG+=(326 & 529 & 593) LLG=795 TFZ==5.4 PAK=5 LLG=795 TFZ==5.4 PAK=5 LLG=795 TFZ==5.4 SOLU SPAC P 62 2 2 SOLU 6DIM ENSE autoMR EULER 125.3 60.8 300.2 FRAC 0.17 -0.13 0.08 BFAC -9.34 #TFZ==10.0 SOLU 6DIM ENSE autoMR EULER 305.4 60.8 300.2 FRAC 0.27 -0.16 0.08 BFAC -5.29 #TFZ==29.8 SOLU 6DIM ENSE autoMR EULER 294.7 119.1 120.3 FRAC 0.45 0.01 0.26 BFAC 0.34 #TFZ==22.5 SOLU 6DIM ENSE autoMR EULER 305.5 61.6 300.1 FRAC 0.11 -0.16 0.08 BFAC 29.19 #TFZ==5.4 SOLU ENSEMBLE autoMR VRMS DELTA -0.2463 #RMSD 0.93 #VRMS 0.79 It seems (also looking at the maps) that it correctly places three monomers out of four. How can I use this information to improve the search of the fourth monomer using the same template model? Thanks in advance for your help, Best regards Luca Mazzei Luca Mazzei - PhD Laboratory of Bioinorganic Chemistry Department of Pharmacy and Biotechnology (FaBiT) Alma Mater Studiorum - University of Bologna Viale Giuseppe Fanin, 40 - 40127, Bologna - Italy Tel: +39 0512096235 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/