Hi Jason,
Your 32.51 A is your real experimental low resolution limit. The
150.84 A is likely the theoretical low resolution limit based on the
unit cell dimensions. Your refinement mtz file may have used this
because you may have merged mtz files at some point and likely opted
to use theoretical low resolution instead of explicitly specifying the
experimental low resolution.
Nothing to worry about, there is no data lower than 32.51 A in your
file and refmac has not refined anything lower than 32.51 A. You can
just trace back your files and see where this change occurred and
update it. Alternatively, during refinement, you can specify 32.51 as
the low resolution cut-off.
Regards,
Debanu
On Tue, Jun 14, 2016 at 9:27 PM, Jason Busby <[log in to unmask]> wrote:
> Hi,
>
> I’m preparing a structure for deposition, one that I have solved and refined
> using the new CCP4i2 interface. The PDB deposition site is giving me a
> warning that my low resolution limit for refinement is higher than for data
> collection. I checked the log files and sure enough - my data are collected
> from 32.51-2.40 but in refinement refmac has used 150.84-2.40.
>
> I have checked the .mtz files themselves and sure enough, the output of my
> Aimless run has a low resolution limit of 32.51 but the hklin.mtz files
> present in the refinement jobs have a low res limit of 150.9 Is this normal
> behaviour? How can refmac refine against low resolution data that wasn’t
> collected? What should I report the refinement resolution as?
>
> Thanks,
>
> Jason.
>
> --
> Dr Jason Busby
> Laboratory of Structural Biology
> School of Biological Sciences
> The University of Auckland
> Thomas Building 110
> 3A Symonds St
> Private Bag 92019
> Auckland Mail Centre
> Auckland
> New Zealand
>
> ph: +64 9 3737599 ext 83888
>
>
>
>
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