Dear Tereza, First, a shameless plug for ISOLDE (https://isolde.cimr.cam.ac.uk). It’s built specifically for working with models around your resolution.
Other than that, I’d suggest having a close look at the corresponding sites in your high-resolution reference models as a sanity check. Remember: just because a model is built into high-resolution data doesn’t mean it’s completely correct - mistakes happen at all resolutions. Conversely, some outliers are real - if it’s an outlier in the reference model *and* well-supported by the high-resolution density, you can tick it off your list of things to worry about. Best regards, Tristan > On 8 Mar 2019, at 09:08, Tereza Skalova <t.skalova.c...@gmail.com> wrote: > > Dear all, > > I have structure at 3.3A resolution and I have ca. 35 Ramachandran outliers. > Do you have any idea how to reduce the number? > I refine in Refmac, using h-bond based Prosmart restraints based on PDB > structures (identical molecules with high resolution) and I use NCS, medium > between AB (protein 1) and loose between CDE (protein 2). I use overall > B-factor and 8 TLS groups. > Is it possible to optimize Ramachandran plot directly in Refmac? > > Thank you > > Tereza Skalova > > > > > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
