MR in CNS!

Yu Wai Chen ywc at
Tue Mar 14 08:49:46 EST 2000

Miljan Simonovic wrote:
> I ran rf (first peak 0.08, second 0.06, sigma 0.014) and tf in CNS
> (v1.0). I got the best peak with following values:
> corr.coeff.=0.22, packing =0.53. Other peaks have lower values (0.14,
> 0.41 respectively). I am searching for one molecule per asymmetric unit.
> Should I expect higher values for the correct solution or should I just
> proceed further?

In MR, values are relative and case dependent.  You look at
signal-to-noise ratio rather than absolute value of the corr.coef. 
Looks like yours has a high s/n ratio.  If I were you, I'll check the
crystal packing to make sure there is no steric overlap and calculate
sigmaA-weighted maps.  If you see a good map, then you are on the right
track.  Mind you I've come across very high s/n ratio yet the solution
is wrong...

Yu Wai CHEN, Ph.D. ..................   email:ywc at
 Centre for Protein Engineering,             tel:+44-(0)1223-402148
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