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My experience is also that the bulk solvent model sometimes makes the mask exclude internal large cavities.

Laurie Betts


On Fri, Apr 12, 2013 at 12:03 PM, Pavel Afonine <[log in to unmask]> wrote:
P.S.: you are not alone having such R-factors

On Fri, Apr 12, 2013 at 9:50 AM, Jan van Agthoven <[log in to unmask]> wrote:
Could this be due to an excessive low R
factor that phenix.refine has generated: R=17.9 and Rfree=23.3 at a
resolution of 2.85 A?

Histogram of Rwork for models in PDB at resolution 2.75-2.95 A:
     0.134 - 0.157      : 10
     0.157 - 0.180      : 75    <<<<< your model
     0.180 - 0.203      : 365
     0.203 - 0.226      : 666
     0.226 - 0.249      : 653
     0.249 - 0.272      : 247
     0.272 - 0.295      : 52
     0.295 - 0.318      : 11
     0.318 - 0.341      : 1
     0.341 - 0.364      : 1
Histogram of Rfree for models in PDB at resolution 2.75-2.95 A:
     0.191 - 0.210      : 27
     0.210 - 0.230      : 105
     0.230 - 0.249      : 271 <<<<< your model
     0.249 - 0.269      : 472
     0.269 - 0.288      : 649
     0.288 - 0.308      : 377
     0.308 - 0.328      : 129
     0.328 - 0.347      : 34
     0.347 - 0.366      : 14
     0.366 - 0.386      : 3
Histogram of Rfree-Rwork for all model in PDB at resolution 2.75-2.95 A:
     0.001 - 0.011      : 23
     0.011 - 0.021      : 87
     0.021 - 0.030      : 195
     0.030 - 0.040      : 377
     0.040 - 0.050      : 407
     0.050 - 0.060      : 408 <<<<< your model
     0.060 - 0.070      : 296
     0.070 - 0.079      : 162
     0.079 - 0.089      : 81
     0.089 - 0.099      : 45
Number of structures considered: 2081

The above histograms were obtained using command:

phenix.r_factor_statistics 2.85

Pavel