Hi Rakesh,
providing everything else is good about your PDB file (for example, no
post-refinement manipulations done to the model), phenix.model_vs_data
should reproduce the R-factors, since it accounts for TLS (both, PHENIX
or REFMAC formatted), it does the advanced bulk-solvent and anisotro
Hello Rakesh,
yes, you are right. In contrast to all modern refinement programs,
sfcheck neither applies TLS nor the superior mask bulk solvent
correction (it applies the Babinet bulk solvent correction by
double-exponential scaling). As a result, the R-factors from sfcheck are
higher than t
Hello,
I refined my structures using REFMAC5 ( using TLS in combination ). When i used
the SF-Check
program, my R-values are ~5% higher than in those reported by refmac. Is this
due to the fact that SF-check does bulk solvent calculations differently and
does not account for TLS refinement?
A
