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RE: [ccp4bb]: need estimated error of occupancy
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>
> I have done this with MLPHARE - you run REFMAC5 for the structure
> without the ions, and that outputs FC/PHIC and FOM;
>
> It is pretty reliable I think - good enough for a reviewer!
Very good idea!
An extra check that this is good enough for a reviewer is to also run REFMAC
with the ion at occ = 1.0 and then remove the ion without allowing the rest
of the protein to change before calculating FC/PHIC and FOM. If the method
is unbiased, you should get the same answer from MLPHARE.
Best wishes
John Jenkins
Institute of Food Research Tel: +44 (0)1603 255319
Norwich Research Park Fax: +44 (0)1603 507723
Colney Lane E-mail john.jenkins@bbsrc.ac.uk
Norwich NR4 7UA
UK