[phenixbb] phaser_x.mtz, resolve_x.mtz and exptl_fobs_phases_freeR_flags.mtz give different Rfree's using same model?

[Francis E Reyes]

Ok. I think I have a case where I can't refine unless I use density  
modified experimental phases.

I did an autosol run where I specified build=False so I don't have an  
exptl_fobs_phases_freeR_flags.mtz, but I do have phaser_1.mtz and  
resolve_1.mtz.

However, when I refine my model using mlhl my Rfree drops below 30  
when using resolve_x.mtz and not phaser_x.mtz nor using the original  
d*trek ref using the same model? Using any of the other mtz's results  
in Rfree's in the mid 30s. Interestingly refining against the original  
d*trek results in an increase of Rfree with macro cycle?



I checked the log file for resolve_x.mtz and although it says it's  
using the mlhl refinement target, it seems to be using FP, SIGFP (not  
the HL coefficients that I thought phased refinement would use) as  
evidenced by the .log file under 'Non-default parameters'. In this  
section it doesn't read in the HL cofficients? Is there any indication  
that it's actually refining against the phases?

Any insight as to which mtz to use for final refinement would be  
suggested.


Thanks

FR

P.S.

What is the refinement target ml_sad?

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

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