[phenixbb] Best first map for RESOLVE after MR - PS

Pavel Afonine PAfonine at lbl.gov
Mon Aug 31 00:05:47 PDT 2009


PS: Make sure you use not fobs-filled map (xxx_no_fill).

Pavel.


On 8/30/09 2:32 PM, Peter Grey wrote:
> Hi Pavel,
>
> Thank you very much for your fast answer. I just thought that maybe 
> the bulk solvent correction procedure in phenix can really create 
> better maps because with such big complexes I must use all low 
> resolution data. Of course I can try both options but there are so 
> many things to try with this big complex at low resolution that I 
> would like to eliminate options where possible.
>
> Many many thanks,
>
> Peter.
>
>
>
> On Sun, Aug 30, 2009 at 7:22 PM, Pavel Afonine <PAfonine at lbl.gov 
> <mailto:PAfonine at lbl.gov>> wrote:
>
>     Hi Peter,
>
>     I guess this my reply will not replace Tom's or Randy's one...
>
>     > Should it be the 2mFo-DFc map directly from Phaser or would it be
>     > better to do rigid body refinement in phenix.refine and use the bulk
>     > solvent corrected 2mFo-DFc map ?
>
>     - why don't you try using both options and choose the best outcome?
>
>     - running a round of rigid body refinement in phenix.refine and using
>     its 2mFo-DFc map will not hurt at least or may make your model and
>     therefore the map better, so you will have a better starting point.
>
>     Pavel.
>
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