Maybe you have a bimolecular dimer when you expected a unimolecular hairpin? It’s happened before :)
https://pubmed.ncbi.nlm.nih.gov/31584014/ Eric On Tue, Jun 8, 2021 at 10:15 AM Almudena Ponce Salvatierra < maps.fa...@gmail.com> wrote: > Hello everyone, > > I am working with an RNA-only structure, data are at 3 Angstroms, and at > first, I thought was in the C2 space group (with 6 molecules in the AU). > > I can't finish building! it, because the structure seems to get in the way > of its neighbor symmetrically! See the attached picture, please! The only 4 > residues that the structure is missing "have to go there", where one > structure meets the other one. The R factors for this spacegroup are around > 0.3. > > However, Phenix Xtriage suggests the symmetry may be higher. So I reindex > in P622, do MR with Phaser (trying all possible space groups in that point > group), and it finds a unique solution in space group P 65 2 2 with TFZ of > 50 and LLG >3000. Of course, the problem persists (one molecule sort of > interfering with the neighbor), not only that but also the refinement > R-factors are substantially higher, 0.37. > > I have to say that the refinement maps look better when I am working with > the C2 spacegroup. I can't understand, though, what is happening at that > "supposedly interface" between the two molecules. Has anybody experienced > anything like this in the past? Can it be a twin? Is it something else? > and... how to fix it? > > Thank you very much in advance. > > Best wishes, > > Almudena > > ------------------------------ > > 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/
