Hi, We ran Scala program with 2 A resolution cut-off and it gave mean I / sig I value as follows
Overall: 7.3 OuterShell: 2.0 InnerShell: 16.5 CC(1/2) : Overall: 0.994 OuterShell: 0.665 InnerShell: 0.997 We also tried Scala with 2.33 A resolution cut-off and the statistics are as follows Mean I / sig I : Overall: 11.3 OuterShell: 5.0 InnerShell: 20.0 CC(1/2) : Overall: 0.995 OuterShell: 0.942 InnerShell: 0.997 Thank You, Satya Dev. On Fri, Mar 17, 2017 at 7:59 PM, Mohamed Noor <mohamed.n...@ul.ie> wrote: > How do you know it's really 2 A resolution? How is your CC(1/2)? > > > On 17/03/2017 13:51, Polisetty Satya Dev wrote: > > Dear all, > > I solved a structure at 2.0 A resolution with R-work and R-free values > 0.25 and 0.32 respectively and I am stuck at Refmac step where there is no > further reduction in R-factor. > > The above stated values were obtained after several rounds of manual > refinement followed by refmac. There are also areas where electron density > is missing around peptide backbone in one of the monomer in ASU. > > Can anyone please tell me how can I improve the electron density and > R-factor. > > The structure solution was obtained using Phaser MR and here are the data > statistics: > > Average unit cell: 81.95, 100.40, 156.96, 90.00, 90.00, 90.00, > > Space group: P212121, > > Completeness 99.5, > > Multiplicity 6.4, > > Four monomers per ASU. > > Solvent content: 47%. > > > Thank you everyone, > > Satya Dev, > > JNCASR. > > >
