Hello, K will always have a higher B-factor for a given piece of density due to it having a larger atomic number. Is the K B-factor much higher than those of neighbouring atoms and, if not, it's probably the best interpretation? Cheers, Jon.C.
Sent from ProtonMail mobile -------- Original Message -------- On 8 Sep 2022, 14:07, smita yadav 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 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 <[email protected]> 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 ######################################################################## 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/
