[ccp4bb] Structural Biology Position available at GlaxoSmithKline in Collegeville PA USA

All, GSK in Collegeville Pennsylvania has an opening for an experienced Structural Biologist. If you are interested in the opening, please see the full job posting at the link below. Bob Nolte Scientific Leader MST-Med Design-PCSS Structural

[ccp4bb] Senior Developer at LS-CAT sector 21 at the APS

*Apply to Job 43479 * *Department: *NSRC - LS-CAT *Salary/Grade: *ITS/80 *Job Summary:* This position is available at Argonne National

Re: [ccp4bb] How to prevent acetate ion clash into ZN in refmac5 and COOT?

Thanks Paul!! I will send you the files off list. Cheers, Martin From: CCP4 bulletin board On Behalf Of Paul Emsley Sent: den 12 april 2022 10:11 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] How to prevent acetate ion clash into ZN in refmac5 and COOT? On 11/04/2022 15:55, Martin Moche

Re: [ccp4bb] How to prevent acetate ion clash into ZN in refmac5 and COOT?

Hello, could this be a case of the ZN not being shifted one place to the left in the PDB file to give it the right scattering factor ? ? The progs are pushing neighbouring atoms into the Zn density to account for its scattering power ? ? Maybe these problems don't happen any more. Sent from

Re: [ccp4bb] How to prevent acetate ion clash into ZN in refmac5 and COOT?

On 11/04/2022 15:55, Martin Moche wrote: Dear colleagues, We are refining a structure where an acetate ion (ACT) binds a zinc ion, Zn+2 (ZN), using an excellent quality 1.38Å dataset, [...] When doing COOT sphere refinement, the acetate ion moves on top of the ZN? like the ZN was not