On Monday 11 August 2008 16:54, Lisa Wang wrote:
> Hello all,
> I have a complex structure with resolution 2.7A The total molecular weight
> is 80KD, and about 10% is disordered. I refined this structure to R and
> Rfree 25.5% and 29.7% with CNS. I also tried refmac5, but the R and Rfree
> have no difference with CNS. I use sfcheck of ccp4 to check this structure.
> But sfcheck give the R-factor for all relections 29%. and Rfree 33%. Why
> sfcheck and CNS give different R and Rfree?
sfcheck usually does not have enough information to reproduce your full
refinement. In particular, it does not reproduce the solvent model,
TLS refinement, anomalous terms, variant scattering factors, etc.
So it cannot reproduce your original Fcalc values.
Given that it has different Fcalc, it is no wonder that it also has different
R values. I suggest you ignore them.
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