Thanks, Robbie, I will try this. -Vandna On Mon, Feb 12, 2018 at 3:00 PM, Robbie Joosten <robbie_joos...@hotmail.com> wrote:
> 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 pdb-redo.eu 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. > > > > HTH, > > Robbie > > > > Sent from my Windows 10 phone > > > > *From: *Graeme Winter <graeme.win...@diamond.ac.uk> > *Sent: *maandag 12 februari 2018 20:48 > *To: *CCP4BB@JISCMAIL.AC.UK > *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. > > 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 > <https://maps.google.com/?q=660+S.+Euclid&entry=gmail&source=g>, 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 > > > -- 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
