Hi Atul,
On Fri, Jun 18, 2010 at 09:14:28AM +0000, atul kumar wrote:
Dear all
[...] these. Other than that, there are no major issues. I was just
wondering if the present R-factor values seem alright for a 1.9 ang data,
which many of you have suggested it does?
Atul
the typical R-factors for "all" structures in PDB refined at around 1.9A
are:
Histogram of Rwork for models in PDB at resolution 1.80-2.00 A:
0.093 - 0.112 : 1
0.112 - 0.132 : 15
0.132 - 0.151 : 186
0.151 - 0.171 : 773
0.171 - 0.190 : 1721
0.190 - 0.209 : 1924
0.209 - 0.229 : 991 <<< your structure
0.229 - 0.248 : 342
0.248 - 0.268 : 54
0.268 - 0.287 : 17
Histogram of Rfree for models in PDB at resolution 1.80-2.00 A:
0.138 - 0.160 : 6
0.160 - 0.182 : 117
0.182 - 0.204 : 739
0.204 - 0.226 : 1565
0.226 - 0.248 : 1974
0.248 - 0.270 : 1133 <<< your structure
0.270 - 0.292 : 389
0.292 - 0.314 : 85
0.314 - 0.336 : 13
0.336 - 0.358 : 3
Histogram of Rfree-Rwork for all model in PDB at resolution 1.80-2.00 A:
0.001 - 0.011 : 64
0.011 - 0.021 : 409
0.021 - 0.031 : 1214 <<< your structure
0.031 - 0.041 : 1797
0.041 - 0.050 : 1388
0.050 - 0.060 : 697
0.060 - 0.070 : 282
0.070 - 0.080 : 111
0.080 - 0.090 : 47
0.090 - 0.100 : 15
Number of structures considered: 6024
It looks like you are more or less good (overall), but it is also likely
that some more improvement can be done to the model which you can be
easily pin-pointed by Comprehensive Validation option available from
PHENIX GUI.
Pavel.
PS> The command to get the above statistics is (in PHENIX):
phenix.r_factor_statistics 1.9
