Re: [ccp4bb] Unknown electron density

Hi Betty, You may use the two following applications from the minor lab : CheckMyMetal - https://cmm.minorlab.org/ CheckMyBlob - https://cmm.minorlab.org/ Best, Anat. From: CCP4 bulletin board On Behalf Of Betty Chu Sent: Wednesday, 19 April 2023 19:59 To: CCP4BB@jiscmail.ac.uk Subject:

[ccp4bb] UK/Japan "dynamic crystallography" meeting Leicester UK Sept 14 & 15

We are delighted to announce #time_resolved_23 Find out more and register through https://timeresolved23.le.ac.uk/ *Dynamic Crystallography - XFELs and Synchrotrons to study enzyme reactions 13-15 September, Leicester, UK* The meeting is sponsored by the UK’s BBSRC Japan Partnering Award

Re: [ccp4bb] Unknown electron density

Hi Betty, I've seen very similar looking similar looking density from trifluoroacetic acid that was present with a synthetic peptide. Could be something to check if you have a peptide bound. Best, Alastair ~ Alastair McEwen, PhD Integrated Structural Biology Platform IGBMC 1 rue Laurent

[ccp4bb] CBMS workbench: Structural Biology

Dear All, We'd like to bring to your attention that the registration is open for the CBMS Structural Biology Workbench, scheduled May 15 through May 18. Participants can choose between SAXS and MX or attend both. The event will be held virtually. Registration is free:

[ccp4bb] CBMS Workbench: Structural Biology

Dear All, We'd like to bring to your attention that the registration is open for the CBMS Structural Biology Workbench, scheduled May 15 through May 18. Participants can choose between SAXS and MX or attend both. The event will be held virtually. Registration is free:

Re: [ccp4bb] CIF file problem

Hello Ning CheckCIF checks small molecule crystallographic cif files - the dictionaries and expectations on the contents are not the same as for mmcif, although the underlying syntax is the same. I'm unaware of anything that does the equivalent of CheckCIF for macromolecular cif files.

Re: [ccp4bb] CIF file problem

Dear Ning, their is some confusion. When a small molecule crystal structure is determined, the coordinates and data are usually submitted to the CCDC or the COD (crystallographic open database). The structure receives a checkcif report which, as Phil has pointed out, is specific to small molecule

[ccp4bb] CIF file problem

Hi all, Does anybody know why I got this error message: *Checking for embedded fcf data in CIF ...* *No extractable fcf data in found in CIF* as I uploaded the CIF file to https://checkcif.iucr.org/ for structure validation? The CIF file was directly from phenix.refine during structure

Re: [ccp4bb] CIF file problem

Hi Phil, Thank you for the clarification, I didn't realize the CheckCIF is for small molecules. We tried to submit the manuscript to a chemical magazine and found "CheckCIF reports must be submitted to the Cambridge Crystallographic Data Centre (CCDC) *prior to manuscript submission". In fact I

Re: [ccp4bb] CIF file problem

Thank you for the information. On Thu, Apr 20, 2023 at 5:14 PM Tim Gruene wrote: > Dear Ning, > their is some confusion. When a small molecule crystal structure is > determined, the coordinates and data are usually submitted to the CCDC > or the COD (crystallographic open database). The