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interpretting TWINNED Rfree/R from CNS

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  • Sudharsan Sridharan
    Hi all, Sorry for the non-CCP4 question. I ve refined my structure using detwinned data in CNS (version 1.1, using the xxxxxx_xxxxxxx_twin.inp scripts under
    Message 1 of 1 , Apr 1 1:10 PM
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      Hi all,

      Sorry for the non-CCP4 question.

      I've refined my structure using detwinned data in CNS (version 1.1,
      using the xxxxxx_xxxxxxx_twin.inp scripts under "Twinning" utilities,
      after anneal_twin and bindividual_twin) TWINNED Rfree/R of 25/16
      (sg=R3, twin frac =0.41, i posted questions about this earlier)
      looking at the phi-psi plot, i have to do a little bit more model
      building.

      my question is this twinned R/Rfree to be taked as final values ? or
      should something else to be done after this ?

      the ave. b-factor is 56. and many loop residues have b-factors in the
      range 70-110 !!!!!!!! how to deal with this high b-factors ??

      I'd appreciate any suggestions.

      thanks,
      Sid.

      --
      Sudharsan Sridharan
      Graduate Research Assistant
      Dept. of Biochemistry/Biophysics
      Texas A&M University
      College Station, TX 77843
      USA.

      Phone: 001-979-862-7639
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