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. 2023 Feb 23;79(Pt 3):51–60. doi: 10.1107/S2053230X23000717

Table 3. Structure solution and refinement.

Values in parentheses are for the outer shell.

Resolution range (Å) 51.04–3.20 (3.31–3.20)
Completeness (%) 93.3
No. of reflections, working set 11170 (897)
No. of reflections, test set 589 (54)
Final R cryst 0.33 (0.37)
Final R free 0.38 (0.45)
No. of non-H atoms
 Protein 4525
R.m.s. deviations
 Bonds (Å) 0.003
 Angles (°) 0.46
Average B factors (Å2)
 Protein 42.8
Ramachandran plot
 Most favoured (%) 99.5
 Allowed (%) 0.5