[phenixbb] tNCS

[Huyton, Trevor]

Dear All,

I have been struggling for while with a Molecular replacement problem for a large complex(3 proteins) with 2 copies per ASU.

I have a small but 100% model for one of the components but this contributes only 12% of ASU (2 molecules) a much poorer <20% model that contributes the majority 80% of the ASU

Space group is P222>P212121 best MR is in P21221.

I have strong tNCS as seen in native patterson and phaser chooses this top peak in MR runs:
There was 1 non-origin distinct peak (i.e. over 20% of origin peak and more than
 15 angstroms from the origin)
 Sorted by Height
 ----------------
 Height Distance   Vector
  56.0%  126.4 :   FRAC +0.5000 +0.5000 +0.3500   (ORTH   63.0   88.0   65.4)

Molrep also uses the same tNCS vector:

--- Check Patterson for pseudo-translation ---
 PST_limit :   0.125 of origin peak
INFO: pseudo-translation was detected.
      Origin Patterson peak: P,P/sig :     26479.002       239.412
      1 Patterson peak     : p,P/sig :     13591.399       122.888
      2 Patterson peak     : P,P/sig :      2506.590        22.664
      3 Patterson peak     : P,P/sig :      1517.345        13.719
      Peak 1: trans.vector /ort/ :        62.995        88.023        65.691
              trans.vector /frac/:         0.500         0.500         0.352
      Peak 2: trans.vector /ort/ :         0.000         0.000        55.510
              trans.vector /frac/:         0.000         0.000         0.297
      Peak 3: trans.vector /ort/ :        58.238        88.023        65.730
              trans.vector /frac/:         0.462         0.500         0.352
INFO:  translation vector of peak 1 will be used.

My question is how does this affect my MR with the smaller component? Is it exactly the same vector as the larger component?

Thanks

Trevor

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