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Dear Kavya,
As far as I understand the PDBRedo project attempts to make the
reflections unbiased from the structure by a random shift of
coordinates (e.g. 'NOISE' keyword in pdbset, although I am not aware
of an investigation about whether this actually does make remove bias.
It is safest to keep the same Rfree-set.
Regards,
Tim
On 02/28/2013 06:54 AM, Kavyashree Manjunath wrote:
> Dear users,
>
> Is it mandatory to use the same reflections for Rfree calculations
> of a ligand bound data as that of its native?
>
> Thank you With Regards Kavya
>
>
- --
- --
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
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