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. 2017 Jan 1;73(Pt 1):29–35. doi: 10.1107/S2053230X16019658

Table 4. Structure solution and refinement.

Resolution range (Å) 47.7–2.07
Completeness (%) 100
σ Cutoff
No. of reflections, working set 46794
No. of reflections, test set 2468
Final R cryst (%) 18.5
Final R free (%) 23.8
No. of non-H atoms
 Protein 6018
 Ion 2
 Water 153
 Total 6173
R.m.s. deviations from ideal geometry
 Bonds (Å) 0.017
 Angles (°) 1.741
Average B factors (Å2)
 Protein 38.8
 Ion 34.0
 Water 36.8
Ramachandran plot
 Most favoured (%) 94.5
 Allowed (%) 99.6