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Dear BB,
I have a high resolution native data set (1.7A) and a decent model for MR (35%
identity over 70 residues, 100 residues total in ASU). Data scales well in P 3
2 1 (but not P6), and there are absences indicating a screw axis along the
3-fold.
I'm trying MR with Phaser using data from 15 - 3.0 A.
Phaser does not produce solutions with Z scores over 5 for P 3 2 1 or P 31 2 1.
However, in P 32 2 1 there is a solution with Z score of 8.57. A part of the
.sum file is attached below. The 2 solutions written out from set 1 trial 3
both have high Rfactors in a rigid body refinement (over 55%), so I'm assuming
that is not a correct solution.
I tried the MR protocol is CNS. The cross rotation function scores look good,
but not the translation function scores and the top solutions all have Rfactors
over 55%.
There is no evidence of twinning.
So... can anybody point me to something else I should look at/try?
Also - why is there no "third" solution for set 1 trial 3?
Thanks
Ed
_____________
T.Edwards Ph.D.
Astbury Centre for Structural Molecular Biology
Institute of Molecular Cell Biology
University of Leeds
LS2 9JT
0113 343 3031
---------------
FINAL SELECTION
---------------
Mean (Sigma) used for final selection = -32.702 (9.68956)
Number of solutions stored before final selection = 323
Number of solutions stored (deleted) after final selection = 2 (321)
Fast Translation Function Table: Space Group P 32 2 1
-----------------------------------------------------
#SET #TRIAL Top (Z) Second (Z) Third (Z) Ensemble
1 1 14.41 ( 4.59) 13.05 ( 4.45) 11.37 ( 4.28) ensemble1
1 2 13.47 ( 4.69) 12.79 ( 4.62) 11.10 ( 4.44) ensemble1
1 3 53.02 ( 8.57) 33.72 ( 6.65) - - ensemble1
1 4 22.73 ( 5.34) 19.07 ( 4.99) 17.93 ( 4.88) ensemble1
1 5 15.38 ( 4.76) 11.80 ( 4.39) 11.07 ( 4.32) ensemble1
1 6 9.45 ( 4.57) 8.01 ( 4.42) 7.56 ( 4.37) ensemble1
1 7 11.65 ( 5.05) 10.91 ( 4.97) 10.02 ( 4.87) ensemble1
1 8 9.86 ( 4.73) 8.45 ( 4.57) 7.70 ( 4.49) ensemble1
---- ------
