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. 2019 May 10;75(Pt 6):412–418. doi: 10.1107/S2053230X1900623X

Table 4. Structure solution and refinement.

Values in parentheses are for the outer shell.

PDB code 6jkj
Resolution range (Å) 34.49–1.90 (1.95–1.90)
Completeness (%) 97.1 (94.9)
σ Cutoff None
No. of reflections, working set 27047 (1920)
No. of reflections, test set 1502 (104)
Final R cryst 0.217 (0.421)
Final R free 0.270 (0.449)
No. of non-H atoms
 Protein 2933
 Water 132
 Total 3065
R.m.s. deviations
 Bonds (Å) 0.009
 Angles (°) 1.555
Average B factors (Å2)
 Protein 20.98
 Water 24.28
Clashscore 4
Ramachandran plot
 Most favoured (%) 97.1
 Allowed (%) 2.9
 Outliers (%) 0