This is a known issue with Refmac and the PDB deposition pipeline. No need to change any files. You can just correct on the deposition pages. The offending value is marked in red somewhere.
Importing reflection data into your working MTZ file typically involves making a list of all possible reflections. This is important to test your data's completeness but also for generating a test set. If you do this on the complete set of reflections you can always add previously unobserved reflections without having to redefine the test set.
Cheers,
Robbie
> -----Original Message-----
> From: CCP4 bulletin board [mailto:[log in to unmask]] On Behalf Of
> Debanu Das
> Sent: Wednesday, June 15, 2016 06:47
> To: [log in to unmask]
> Subject: Re: [ccp4bb] Refmac low resolution limit
>
> 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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