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. 2017 Apr 25;4:170055. doi: 10.1038/sdata.2017.55

Table 6. Selenobiotinyl streptavidin crystallography figures of merit.

  Selenobiotinyl Streptavidin
Data collection PDB ID (5JD2)
 Beamline LCLS (CXI)
 Space group P21
 Cell dimensions
  a, b, c (Å) 50.7, 98.4, 53.1
  α, β, γ (°) 90, 112.7, 90
 Resolution (Å) 32.51–1.90 (1.97–1.90)
Rsplit 0.048 (0.395)
I/σ(I) 14.0 (2.7)
 Completeness (%) 1.0 (1.0)
 SFX multiplicity of observations 1447.6 (1003.3)
CC* 1.000 (0.930)
 CC1/2 0.998 (0.762)
 CCano 0.177 (0.003)
 Wilson B Factor (Å2) 29.58
Refinement
 No. reflections 38,327 (3,817)
Rwork/Rfree 0.166/0.199 (0.231/0.253)
 Ramachandran favored (%) 89.3
 Ramachandran allowed (%) 10.5
 Ramachandran outliers (%) 0.2
 No. atoms
  Protein 3,630
  Ligand/Ion 64
  Water 265
B-factors (Å2)
  Protein 34.0
  Ligand/Ion 38.9
  Water 43.5
 R.m.s. deviations
  Bond lengths (Å) 0.006
  Bond angles (°) 1.04