Thank you all for the nice suggestions. Regards;
Bashir On Tue, Feb 16, 2021 at 1:09 PM Randy John Read <[email protected]> wrote: > 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/ > -- ------------------------------------------------------ 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] <[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 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/
