Table 2. Diffraction Data Collection and Refinement Statistics
Data Set14-3-3c:CPP14-3-3c:CPP714-3-3c:CPP:FC
Data collection
 Space groupP6522P6522P212121
Cell dimensions
 a, b, c (Å)110.18, 110.18, 136.69109.03, 109.03, 136.7199.81, 165.66, 170.55
 α, β, γ (°)90.0, 90.0, 120.090.0, 90.0, 120.090.0, 90.0, 90.0
 Wavelength (Å)0.967700.967700.97625
 Resolution (Å)47.71–2.35 (2.43–2.35)47.21–2.07 (2.13–2.07)48.32–3.30 (3.42–3.30)
 #Rpim0.045 (0.365)0.037 (0.356)0.132 (0.304)
 +CC1/20.971 (0.706)0.999 (0.523)0.978 (0.407)
 <I/σ(I)>15.2 (5.1)18.3 (5.1)5.6 (2.7)
 Completeness (%)100 (100)99.8 (99.8)100 (100)
 Wilson B-factor32.2829.4445.76
 Redundancy39.0 (27.7)40.9 (39.8)7.5 (7.6)
Refinement
 Resolution (Å)42.89–2.35 (2.43–2.35)44.63–2.07 (2.14–2.07)47.89-3.30 (3.41–3.30)
 Number of reflections21,014 (2,044)29,779 (2,904)43,249 (4,259)
 Rwork/Rfree0.195/0.245 (0.340/0.338)0.200/0.247 (0.327-0.357)0.241/0.306 (0.291/0.381)
Number of molecules
 Copies in the AU118
 Protein residues2452471898
 FSC molecules7
 PEG molecules3
 GOL molecules1
 ACT molecules11
 Water molecules148185101
 Average B factors (Å2)51.546.363.4
 Average B factors (FSC) (Å2)49.9
 RMSD
 Bond lengths (Å)0.0130.0150.002
 Bond angles (°)1.151.220.51
 Ramachandran plot statistics99% in favored98% in favored98% in favored
0.0% outliers0.0% outliers0.0% outliers
  • Highest-resolution shell is shown in parentheses. +CC1/2 is the correlation coefficient of the mean intensities between two random half-sets of data. RMSD, root mean square deviation. Graphic.