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. 2022 Jul 5;7(28):24344–24352. doi: 10.1021/acsomega.2c01700

Table 2. Data Collection and Refinement Statistics of the 14-3-3εΔC:FOXO3apS253 Complex Structurea.

Parameters 14-3-3ε:FOXO3a
Wavelength (Å) 0.97947
Space group C2221
Unit cell parameters  
a, b, c (Å) 77.88, 81.04, 83.28
α, β, γ (deg) 90 90 90
Resolution (Å) 36.44–1.85 (1.95–1.85)
Rmerge (%) 12.0 (74.3)
Mean [⟨I⟩/σ(⟨I⟩)] 9.8 (2.6)
CC (1/2) (%) 99.4 (77.3)
Total no. of reflections 139,586 (18,464)
Unique reflections 22,570 (3185)
Completeness (%) 99.4 (98.1)
Multiplicity 6.2 (5.8)
Molecules in asymmetric unit 1
Solvent content (%) 47.61
Refinement statistics  
Resolution (Å) 36.44–1.85 (1.95–1.85)
Rwork (%) 16.65 (25.7)
Rfree (%) 18.88 (26.4)
Mean B-value (Å2) 24.09
Ramachandran favored (%) 95.5
Ramachandran allowed (%) 4.5
Ramachandran outlier (%) 0
rms deviations  
Bond length (Å) 0.013
Bond angle (deg) 1.750
a

Values in parentheses correspond to the highest resolution shell.