[phenixbb] Only one solution in AutoMR with very negative LLG

Francis E Reyes Francis.Reyes at Colorado.EDU
Tue Mar 15 13:18:57 PDT 2011


Go back to your xtriage log file... Post the section that looks  
similar to the one below...

The full list of Patterson peaks is:

   x      y      z            height   p-value(height)
( 0.500, 0.000, 0.233 ) :   26.198   (2.753e-03)
( 0.000, 0.338, 0.000 ) :    5.699   (7.800e-01)

  If the observed pseudo translationals are crystallographic
  the following spacegroups and unit cells are possible:

  space group                operator         unit cell of reference  
setting
   C 2 2 21 (-a,c,2*b)       x+1/2, y, z+1/4  (55.47, 73.64, 81.46,   
90.00, 90.00, 90.00)



Systematic absences


Also, post the results of the rotation function.. What is the RFZ  
score and how did it compare to any other rotation solutions.


F



On Mar 15, 2011, at 1:13 PM, Zhang yu wrote:

>
> It indicates that pseudo translational symmetry is present in the  
> dataset. I didn't do anything when I first try MR. Is that possible  
> I merged two lattice together during data process, or should I  
> reprocess the data to P1?
>
> I attached the scale log file,
>
>  Shell Lower Upper Average      Average     Norm. Linear Square
>  limit    Angstrom       I   error   stat. Chi**2  R-fac  R-fac
>       50.00  10.29  1030.9    76.3    20.0  1.095  0.105  0.118
>       10.29   8.18   791.3    52.2    18.1  1.108  0.093  0.101
>        8.18   7.15   350.8    23.5    11.3  1.160  0.108  0.106
>        7.15   6.49   195.8    17.1    11.4  1.090  0.138  0.131
>        6.49   6.03   143.7    15.7    12.1  1.029  0.167  0.154
>        6.03   5.67   130.8    15.6    13.2  1.101  0.187  0.173
>        5.67   5.39   129.9    16.8    14.6  1.074  0.198  0.184
>        5.39   5.16   136.0    17.9    15.6  1.078  0.202  0.186
>        5.16   4.96   138.3    19.2    16.8  1.044  0.207  0.192
>        4.96   4.79   150.9    20.7    18.0  1.082  0.209  0.191
>        4.79   4.64   151.3    21.1    18.8  1.140  0.225  0.210
>        4.64   4.50   143.1    22.4    20.3  1.070  0.236  0.226
>        4.50   4.39   127.5    22.5    21.1  1.027  0.262  0.251
>        4.39   4.28   117.7    22.8    22.3  1.051  0.291  0.279
>        4.28   4.18   105.8    24.2    23.7  0.988  0.322  0.317
>        4.18   4.09    93.0    25.0    24.9  0.947  0.365  0.371
>        4.09   4.01    84.9    25.3    25.2  0.884  0.409  0.403
>        4.01   3.94    76.6    27.4    27.3  0.843  0.457  0.490
>        3.94   3.87    66.5    27.5    27.5  0.778  0.505  0.559
>        3.87   3.80    59.3    28.9    28.8  0.766  0.575  0.696
>   All reflections    222.9    26.7    19.5  1.037  0.165  0.128
>
>
>
>
> 2011/3/15 Francis E Reyes <Francis.Reyes at colorado.edu>
> This is probably the most revealing to me.. What did you do about  
> this when you did the MR?
>
>
> On Mar 15, 2011, at 9:45 AM, Zhang yu wrote:
>
> The analyses of the Patterson function reveals a significant off- 
> origin
> peak that is 56.00 % of the origin peak, indicating pseudo  
> translational symmetry.
>
> ---------------------------------------------
> Francis E. Reyes M.Sc.
> 215 UCB
> University of Colorado at Boulder
>
> gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D
>
> 8AE2 F2F4 90F7 9640 28BC  686F 78FD 6669 67BA 8D5D
>
>
>
>
>
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---------------------------------------------
Francis E. Reyes M.Sc.
215 UCB
University of Colorado at Boulder

gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D

8AE2 F2F4 90F7 9640 28BC  686F 78FD 6669 67BA 8D5D







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