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This is due to the Z direction being degenerate, until the origin is fixed when the first molecule is found. In other words, for the first molecule, any Z value will do, because all are 'equal'. Once this first molecule has been placed, the others will have different values of Z, which will be relative to this first. I think that there is something in the phaser logfile about it. On Tue, 2006-08-29 at 08:03 -0700, zzj wrote: > *** For details on how to be removed from this list visit the *** > *** CCP4 home page http://www.ccp4.ac.uk *** > > > Hellow everyone, > I am doing MR in phaser. My spacegroup is p63. I expect 4 molecules in ASU. > The MR_FRF peaks seem not bad: > SOLU TRIAL ENSEMBLE hgl EULER 18.943 154.679 344.874 ZSCORE 4.51 > SOLU TRIAL ENSEMBLE hgl EULER 12.680 133.559 318.071 ZSCORE 4.09 > SOLU TRIAL ENSEMBLE hgl EULER 56.892 131.004 329.690 ZSCORE 4.07 > SOLU TRIAL ENSEMBLE hgl EULER 42.074 104.646 182.842 ZSCORE 3.99 > SOLU TRIAL ENSEMBLE hgl EULER 42.330 45.765 156.444 ZSCORE 3.91 > SOLU TRIAL ENSEMBLE hgl EULER 35.063 28.734 163.593 ZSCORE 3.90 > SOLU TRIAL ENSEMBLE hgl EULER 23.545 112.813 355.006 ZSCORE 3.81 > SOLU TRIAL ENSEMBLE hgl EULER 22.361 108.740 352.947 ZSCORE 3.60 > SOLU TRIAL ENSEMBLE hgl EULER 28.819 24.287 68.541 ZSCORE 3.59 > SOLU TRIAL ENSEMBLE hgl EULER 51.420 30.386 155.631 ZSCORE 3.56 > SOLU TRIAL ENSEMBLE hgl EULER 11.916 21.044 29.113 ZSCORE 3.55 > SOLU TRIAL ENSEMBLE hgl EULER 14.427 119.556 352.661 ZSCORE 3.55 > SOLU TRIAL ENSEMBLE hgl EULER 36.877 32.100 165.635 ZSCORE 3.54 > SOLU TRIAL ENSEMBLE hgl EULER 17.927 173.889 106.495 ZSCORE 3.49 > SOLU TRIAL ENSEMBLE hgl EULER 51.414 152.639 3.915 ZSCORE 3.44 > SOLU TRIAL ENSEMBLE hgl EULER 8.716 140.051 273.568 ZSCORE 3.42 > > However, when I perform MR_FTF, translation along Z is zero: > SPAC P 63 > SOLU SET RFZ=4.0 TFZ=4.7 > SOLU 6DIM ENSE hgl EULER 42.074 104.646 182.842 FRAC 0.18098 > 0.27601 0.00000 > SOLU SET RFZ=3.6 TFZ=4.6 > SOLU 6DIM ENSE hgl EULER 28.819 24.287 68.541 FRAC 0.03388 > 0.76660 0.00000 > SOLU SET RFZ=4.1 TFZ=4.8 > SOLU 6DIM ENSE hgl EULER 12.680 133.559 318.071 FRAC 0.80005 > 0.73373 0.00000 > SOLU SET RFZ=3.6 TFZ=4.7 > SOLU 6DIM ENSE hgl EULER 51.420 30.386 155.631 FRAC 0.86575 > 0.10647 0.00000 > SOLU SET RFZ=3.8 TFZ=4.1 > SOLU 6DIM ENSE hgl EULER 23.545 112.813 355.006 FRAC 0.48075 > 0.53168 0.00000 > SOLU SET RFZ=3.5 TFZ=4.6 > SOLU 6DIM ENSE hgl EULER 36.877 32.100 165.635 FRAC 0.75372 > 0.22542 0.00000 > SOLU SET RFZ=4.1 TFZ=4.1 > SOLU 6DIM ENSE hgl EULER 56.892 131.004 329.690 FRAC 0.84126 > 0.62737 0.00000 > SOLU SET RFZ=3.5 TFZ=4.6 > SOLU 6DIM ENSE hgl EULER 36.877 32.100 165.635 FRAC 0.43706 > 0.82542 0.00000 > SOLU SET RFZ=3.6 TFZ=4.1 > ...... > > When use MR_AUTO, there's no such problem although it didn't seem to > find any correct solution (according to Zscore and LLG). > Is this the problem of phaser or just the statistics has been messed > up by some translational NCS? How can I check this? > Any advice is very appreciated. > JOE > > > -- Cat, n.: Lapwarmer with built-in buzzer. +---------------------------------------------------------------------+ | Andy Purkiss, School of Crystallography, Birkbeck College, London | | E-mail [EMAIL PROTECTED] | | Phone 020 7631 6869 (Work) or 0776 490 360 (Mobile) | +---------------------------------------------------------------------+
