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

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 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

_______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb

_______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb

--------------------------------------------- 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