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.
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3689524/ For example On balance it’s unlikely throwing away measurements will make your model better... Best wishes Graeme ________________________________________ From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Vands [vanx...@gmail.com] Sent: 12 February 2018 19:27 To: ccp4bb Subject: [ccp4bb] Resolution cut off Hi, 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 -- This e-mail and any attachments may contain confidential, copyright and or privileged material, and are for the use of the intended addressee only. If you are not the intended addressee or an authorised recipient of the addressee please notify us of receipt by returning the e-mail and do not use, copy, retain, distribute or disclose the information in or attached to the e-mail. Any opinions expressed within this e-mail are those of the individual and not necessarily of Diamond Light Source Ltd. Diamond Light Source Ltd. cannot guarantee that this e-mail or any attachments are free from viruses and we cannot accept liability for any damage which you may sustain as a result of software viruses which may be transmitted in or with the message. Diamond Light Source Limited (company no. 4375679). Registered in England and Wales with its registered office at Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom
