Dear Vandna,

Paired refinement is indeed the most reliable way to see whether the higher 
resolution data help your refinement. It is done automatically on the server if the resolution of the data used in refinement so far is 
lower than the resolution of your dataset (by at least 0.1A). We get the 
resolution from your REMARK 3 stuff in the input pdb file header.
Although it is not an ideal experiment, you can also cheat pdb-redo into doing 
paired refinement by forging the header of your pdb file.


Sent from my Windows 10 phone

From: Graeme Winter<>
Sent: maandag 12 februari 2018 20:48
Subject: Re: [ccp4bb] Resolution cut off

The most useful information for this can come from paired refinement, which 
will tell you if the data in outer shell is improving the model.

For example

On balance it’s unlikely throwing away measurements will make your model 

Best wishes Graeme
From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Vands 
Sent: 12 February 2018 19:27
To: ccp4bb
Subject: [ccp4bb] Resolution cut off

       I solved a crystal structure at 1.69 A resolution with R /R free  18 / 
20 i used 1.69 A data.

Data completeness is 100 % and for the outer shell, it's 50 %. for i /Sig I > 1.

Do I need to cut resolution in refinement??

Vandna Kukshal
Postdoctral Research Associate
Dept. Biochemistry and Molecular Biophysics
Washington University School of Medicine
660 S. Euclid, Campus Box 8231
St. Louis, MO 63110
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