Q0. Echoing Randy - how accurate is your starting model - Xray structure at resolution 1.5A or high quality EM or NMR??
Q1. Are the solutions the same? There is a CCP4 tool in ccp4i2 - Match my model which will check this taking into account symmetry and origin shifts. On Tue, 21 Nov 2023 at 14:51, Randy John Read <[email protected]> wrote: > Hi, > > Whether or not you’ll get anything useful from a 4.3 A MR solution depends > on your question — maybe you’re interested in something large-scale like > complex formation or domain movement, in which case it could tell you > something. > > In any case, it’s important to have a good starting model. Unless you have > a higher-resolution crystal structure of the same protein, your best bet > would be something like an AlphaFold model. Next, if you want to refine it, > the structure will tend to get worse at that resolution unless you only > allow it to change when required to agree with your data. There are tools > for both Refmac and phenix.refine to use your good-quality starting model > as a reference model, with local or torsion angle restraints, and you > should be using these. > > Best wishes, > > Randy Read > > > On 21 Nov 2023, at 12:02, Yahui Liu <[email protected]> wrote: > > > > Dear all, > > I got a protein crystal dataset of 4.3 A and would like to some the > structure with MR. > > Now I am suffering with the refinement. I used both Refmac and Phenix. > > > > Someone could give me a hand or any suggestions? > > > > All the best > > > > To unsubscribe from the CCP4BB list, click the following link: > > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > > ----- > Randy J. Read > Department of Haematology, University of Cambridge > Cambridge Institute for Medical Research Tel: +44 1223 336500 > The Keith Peters Building > Hills Road E-mail: > [email protected] > Cambridge CB2 0XY, U.K. > www-structmed.cimr.cam.ac.uk > > > ######################################################################## > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > > This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a > mailing list hosted by www.jiscmail.ac.uk, terms & conditions are > available at https://www.jiscmail.ac.uk/policyandsecurity/ > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
