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Table 1 Diffraction statistics

From: Crystal structure and functional implications of the tandem-type universal stress protein UspE from Escherichia coli

X-ray source Beamline 5C, Pohang Accelerator Laboratory
PDB code 5CB0
Wavelength (Å) 1.000
Space group I4122
Resolution (Å) 19.9-3.2
Parameters (Å) a = b = 121.1 Å, c = 241.7 Å, α = β = γ = 90o
Rsym (%) 15.3 % (33.4 %)
Completeness (%) 92.7 (90.2)
Redundancy 5.3 (3.6)
Average I/σ (I) 9.2 (3.3)
R-factor (%) 24.31
Rfree (%) 30.06
Rmsd for bonds (Å) 0.007
Rmsd for angles (◦) 1.393
Ramachandran plot (%)  
 Favored regions 93.64 %
 Allowed regions 5.12 %
 Disallowed regions 1.24 %
Number of atoms  
 Protein 4630
 Ligand 34
Average B factor (Å2) 70.54
  1. R merge=∑ hkl i I i (hkl)-<I(hkl) >│∑ hkl i I i (hkl) , where I(hkl), where I(hkl) is the intensity of reflection hkl, ∑ hkl is the sum over all reflections and ∑ I is the sum over i measurements of reflection hkl. ‡R work =∑ hkl F o-F c│/∑ hkl F o│ for all data with F o >2σ(F o), excluding data used to calculate R free. §R free =∑ hkl F o-F c│/∑ hkl F o│ for all data with F o >2σ(F o) that were excluded from refinement