Hi Francis,

phenix.refine writes the refined f'/f" to the output .def file. So you could just run a few macro cycles of refinement for each of your models and compare the refined f'/f" in the .def files.

Ralf

From: Francis E Reyes <[email protected]>
To: PHENIX user mailing list <[email protected]>
Sent: Wednesday, April 20, 2011 8:03 AM
Subject: Re: [phenixbb] obtaining f'/f'' from solved structures and comparison to a fluorescence scan

Hi phenixer's

I'm in need of reliable f'/f'' for my heavy atom  (that isn't Sasaki tables which I believe is for free, unbound atoms). I've used group_anomalous in phenix.refine before so I'm sure a phenix utility is capable of extracting it.

I wanted to if it's possible to extract it from several solved structures (I have the DANO/SIGDANO, F(+)/F(-), or if needed the original I(+)/I(-))

I'm curious to see if there's wide variation and whether it'd be as reliable (or even better) than actually taking a fluorescence scan (and of course use the values for my current phasing challenge as a starting point).

F





---------------------------------------------
Francis E. Reyes M.Sc.
215 UCB
University of Colorado at Boulder





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