Wilson plot: Difference between revisions
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== relationship of Wilson B and Mean B factor == | == relationship of Wilson B and Mean B factor == | ||
Dirk Kostrewa explains: at higher resolution, the Wilson plot captures mainly the contribution of atoms with lower B-factors which leads to a systematic underestimation of the true B-factor distribution. Accordingly, the average B-factor of refined structures | Dirk Kostrewa explains: at higher resolution, the Wilson plot captures mainly the contribution of atoms with lower B-factors which leads to a systematic underestimation of the true B-factor distribution. Accordingly, the average B-factor of refined structures tends to be higher than the Wilson B-factor. | ||
Pavel Afonine found: | Pavel Afonine found: |
Latest revision as of 17:09, 15 December 2019
relationship of Wilson B and Mean B factor[edit | edit source]
Dirk Kostrewa explains: at higher resolution, the Wilson plot captures mainly the contribution of atoms with lower B-factors which leads to a systematic underestimation of the true B-factor distribution. Accordingly, the average B-factor of refined structures tends to be higher than the Wilson B-factor.
Pavel Afonine found:
Resolution_range Wilson_B Average_B Number_of_structures 0.00 - 1.00 9.77 13.11 94 1.00 - 1.25 10.58 16.44 401 1.25 - 1.50 13.50 19.14 1050 1.50 - 1.75 17.20 21.76 3600 1.75 - 2.00 22.27 26.82 5510 2.25 - 2.50 35.70 39.42 3385 2.50 - 2.75 43.71 44.73 2844 2.75 - 3.00 53.86 51.94 1628 3.00 - 3.25 65.11 60.76 780 3.25 - 3.50 81.69 78.70 165 3.50 - 3.75 92.67 88.84 100 3.75 - 4.00 111.83 102.29 30
- Wilson_B was computed using phenix.model_vs_data which uses "likelihood based wilson scaling"
- Average_B was computed using phenix.model_vs_data from PDB file (TLS is accounted for)
- Structures selected such that the recomputed R-factor matches the one in PDB file header within 1%.
This is where the likelihood based wilson scaling comes from:
A.N. Popov and G.P. Bourenkov "Choice of data-collection parameters based on statistic modeling" Acta Crystallogr. (2003). D59, 1145-1153
Notes related to this are at [1]