[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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