Is that the right way round? Atomic no K 19, Na 11 Call something K when it should be NA - B factor will shoot to reduce the atom contribution. Call something Na when it should be K - B factor will become very small..
As you say - check which fits best with the surrounding atoms.. On Thu, 8 Sept 2022 at 14:16, Jon Cooper < 0000488a26d62010-dmarc-requ...@jiscmail.ac.uk> wrote: > 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 < 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 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 > > ------------------------------ > > 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/
