Hi, We checked all possible space groups of orthorhombic crystal system using Scala and Pointless but the statistics show that P212121 is the possible space group.
Thank You, Satya Dev On Fri, Mar 17, 2017 at 8:03 PM, Teplyakov, Alexey [JRDUS] < [email protected]> wrote: > Check the space group. It may be orthorhombic with a pure rotational axis > (e.g. P21212) or even monoclinic. > > > > *From:* CCP4 bulletin board [mailto:[email protected]] *On Behalf Of > *Polisetty > Satya Dev > *Sent:* Friday, March 17, 2017 9:51 AM > *To:* [email protected] > *Subject:* [EXTERNAL] [ccp4bb] No improvement in R-factor after Refmac. > > > > 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. >
