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

Ed Pozharski epozh001 at umaryland.edu
Tue Mar 15 09:42:26 PDT 2011

On Tue, 2011-03-15 at 11:45 -0400, Zhang yu wrote:
> Fast Rotation Function Table: 1
>    -------------------------------
>    #SET        Top    (Z)      Second    (Z)       Third    (Z)
>    1      -1129.09  32.53         ---    ---         ---    ---
>    ---- ----------  -----  ----------  -----  ----------  -----

Well, your Z-score is very promising.  What size protein/DNA you have?
The likely asu content is over a megadalton, so unless the protein is
huge, you probably have more than one copy - this would explain bad
initial R-values.  Patterson suggests that too.  You probably need to
play with the estimate of asu content a bit to get rid of negative LLG.
What happens if you run a search looking for the second copy with the
first one in place?

"I'd jump in myself, if I weren't so good at whistling."
                               Julian, King of Lemurs

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