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. 2016 Apr 22;72(Pt 5):403–408. doi: 10.1107/S2053230X16006257

Table 4. Structure refinement.

Values in parentheses are for the highest resolution shell.

Resolution range (Å) 29.41–1.22 (1.26–1.22)
Final R cryst 0.1396 (0.1963)
Final R free 0.1583 (0.2067)
No. of non-H atoms
 Protein 6426
 Ligand 52
 Water 780
 Total 7143
R.m.s. deviations
 Bonds (Å) 0.006
 Angles (°) 0.880
Average B factors (Å2)
 Overall 18.89
 Protein 18.01
 Ligand 18.50
 Water 27.46
Ramachandran plot
 Favored regions (%) 98.0
 Additionally allowed (%) 2.0