Re: [ccp4bb] Resolution Discrepancy in Data Set

Hi, I think the point about an R-factor of 42% is a bit more subtle than it comes across in Martin’s reply. For random data without measurement errors (i.e. coming from a Wilson distribution of intensities), the expected R-factor for acentric data is something like 59%. The 42% in Evans &

[ccp4bb] Instruct webinar_Structure meets function today at 11am CET

Register now for the 29th edition of the Instruct-ERIC Structure Meets Function webinar series, taking place 11:00 CET on 23 January. Register Here Structure Meets Function showcases the latest structural

Re: [ccp4bb] Automated refinement convergence

Thank you all for the replies. My goal was to learn about practical ways to achieve convergence during refinement even if the supplied model for the density will never be able to model the density adequately. I may experiment with refmac's ability to terminate refinement when a criteria has

Re: [ccp4bb] Resolution Discrepancy in Data Set

Dear all, I am sorry for a late reply. R-values should not exceed 0.42 which happened in your case for shells 1.91-1.83 and 1.83-1.77. It is because theoretically (under some assumptions), a perfect model gives an R value of 0.42 against random data (Evans & Murshudov 2013 

[ccp4bb] Research engineer position at FragMAX, MAX IV

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Re: [ccp4bb] Deprecation of MMTF-format files for the PDB archive

Thanks for the update. I've been keeping track of what formats are supported by the PDB for a while. Just in case anyone finds it useful, here are my notes. wwPDB distributes files in three formats: mmCIF (primary, full name: PDBx/mmCIF), PDB (legacy), and PDBML (mmCIF in XML, probably to avoid