Yes, I agree with Eleanor. But if there’s translational NCS, either the off-origin Patterson peak is below 20% of the origin peak so that Phaser is missing it, or perhaps you’re turning off the tNCS correction? If Phaser detects tNCS it will place two copies at once.
We’ve had cases where, as Eleanor said, it’s hard to tell the difference between a crystallographic 2(1) with a non-crystallographic 2-fold or the reverse, so you have to try all possible choices of space group. Best wishes, Randy Read > On 16 Feb 2021, at 18:31, Eleanor Dodson > <[email protected]> wrote: > > Well - your LLG etc looks good but those two solutions have symmetry > equivalent rotation angles so must be related by a translation vector. > > SOLU 6DIM ENSE ense_1 EULER 269.0 80.4 177.3 FRAC 0.24 -0.22 -0.07 > BFAC -1.51 #TFZ==6.5 > SOLU 6DIM ENSE ense_1 EULER 89.0 80.4 177.3 FRAC 0.26 -1.01 -0.07 > BFAC 2.26 #TFZ==41.8 > Look at your data processing - if you use I2 there will be warnings. > And with a translation vector you often have to consider alternate > spacegroups. > > If you want to send more information I might be able to be of more help. > Eleanor > > On Tue, 16 Feb 2021 at 18:21, Muhammad Bashir Khan <[email protected]> wrote: > Dear All; > > I have data set of about 3.0A. It's a multidomain protein. I tried several > options with MR but it's was not working. I trimmed one of the search models, > it does not give any solution using CCP4 molrep. > > I used Phenix phaser it gives a solution after several hours with the > following output. > > ** SINGLE solution > > ** Solution written to PDB file: MgtA_phaser.1.pdb > ** Solution written to MTZ file: MgtA_phaser.1.mtz > Solution annotation (history): > SOLU SET RFZ=2.7 TFZ=6.3 PAK=6 LLG=62 TFZ==6.5 RFZ=2.2 TFZ=28.0 PAK=9 > LLG=1207 TFZ==42.0 LLG=1370 TFZ==41.8 PAK=9 > LLG=1370 TFZ==41.8 > SOLU SPAC P 21 2 21 > SOLU 6DIM ENSE ense_1 EULER 269.0 80.4 177.3 FRAC 0.24 -0.22 -0.07 > BFAC -1.51 #TFZ==6.5 > SOLU 6DIM ENSE ense_1 EULER 89.0 80.4 177.3 FRAC 0.26 -1.01 -0.07 > BFAC 2.26 #TFZ==41.8 > SOLU ENSEMBLE ense_1 VRMS DELTA -0.7291 #RMSD 1.50 #VRMS 1.23 > > Running Phenix refine on the solution gives a breakup map and the R factors > are not decreasing below 47.61 and 50.94. > > Thank you for any suggestions in advance > > Regards; > > Bashir > > > -- > ------------------------------------------------------ > Muhammad Bashir Khan, Ph.D. > Research Associate > Department of Biochemistry > Medical Science Bldg. > Lab 3-27 > University of Alberta > Edmonton AB, T6G 2H7 > > Phone: 780-492-4577- > e-mail: [email protected] > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > ----- Randy J. Read Department of Haematology, University of Cambridge Cambridge Institute for Medical Research Tel: +44 1223 336500 The Keith Peters Building Fax: +44 1223 336827 Hills Road E-mail: [email protected] Cambridge CB2 0XY, U.K. www-structmed.cimr.cam.ac.uk ######################################################################## 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/
