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Dear Francis,
the phases calculated from the model affect the whole unit cell hence it
is more likely this is real(-space, local) disorder rather than poor
phases.
Regards,
Tim
P.S.: The author should not look at an 2fofc-map but a
sigma-A-weighted map to reduce model bias.
On 04/10/12 17:22, Francis E Reyes wrote:
> Hi all,
>
> Assume that the diffraction resolution is low (say 3.0A or worse)
> and the model (a high resolution homologue, from 2A xray data is
> available) was docked into experimental phases (say 4A or worse)
> and extended to the 3.0A data using refinement (the high resolution
> model as a source of restraints). There are some conformational
> differences between the high resolution model and the target
> crystal.
>
> The author observes that in the 2fofc map at 3A, most of the model
> shows reasonable density, but for a stretch of backbone the
> density is weak.
>
> Is the weakness of the density in this region because of disorder
> or bad model phases?
>
>
> Would love people's thoughts on this one,
>
> F
>
>
> --------------------------------------------- Francis E. Reyes
> M.Sc. 215 UCB University of Colorado at Boulder
>
- --
- --
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
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