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. 2016 Mar 23;6:23600. doi: 10.1038/srep23600

Table 3. Refinement statistics.

Resolution range (Å) 22.71 −1.49
No. of reflections, working set 66896
No. of reflections, test set 3556
Final Rwork (%) 19.94
Final Rfree (%) 21.02
No. of non-H atoms
 Protein 2912
 Ion 1
 Ligand
  ACETATE 4
  PYROGLUTAMATE 9
 Water 256
 Total 3182
R.M.S. deviations
 Bonds (Å) 0.009
 Angles (°) 1.97
Average B factors (Å2)
 Protein 20.51
 Ion 14.770
 Ligand
  ACETATE 14.343
  PYROGLUTAMATE 46.509
 Water 32.08
Ramachandran plot
 Most favoured (%) 92.1
 Allowed (%) 6.4
Outlier (%) 1.5