[RASMB] recommended max rmsd for achieved equilibrium

[Frank Niesen]

Hello everybody,

I was hoping for advice on what rmsd between successive scans at one speed
I should be aiming for to determine if equilibrium is achieved? Below 0.01?
Below 0.005? Or dependent on how the residuals are distributed?
To give an example, I am spinning samples of a protein that forms trimers
in 2-sector cells (190 ul/cell). The highest concentrated sample is 200 uM
and I waited for about 90 hours, seeing gradual improvement, to currently
0.019 rmsd (I use Sedfit to match, thanks Peter & Co. for the excellent
tool!). The differences toward the meniscus and the bottom are about -0.03
and 0.04, respectively. So, the distribution is still "developing"...
But, how good is good enough, having in mind the demand for answers by my
collaborators and my desire to proceed to the next speed for the weekend?
;o)

Many thanks for any help you can give, and a great weekend for all!

Frank
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