Dear Community, Can you tell me. if we fit some metal in X-ray structure and its geometry and other properties are satisfied but showing some higher B-factor. does it validate to put that metal-ligand.ligand. At one site 2 metals such as K and NA fit, but K shows a higher B-factor, but other parameters such as geometry and other fit better for K instead of NA. So, out of the two ligands at the same site which one would be more favorable to be fit. --
On Thu, Sep 8, 2022 at 6:35 PM smita yadav <sm...@rcb.res.in> wrote: > > Dear Community, > Can you tell me. if we fit some metal in X-ray > structure and its geometry and other properties are satisfied but showing > some higher B-factor. does it validate to put that metal-ligand.ligand. At > one site 2 metal such as K and NA fits, but K shows higher > -- > Regards, > Smita Yadav > Ph.D SRF > Regional Centre for biotechnology, > Haryana-121001. > -- Regards, Smita Yadav Ph.D SRF Regional Centre for biotechnology, Haryana-121001. ######################################################################## 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/