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. 2010 May 27;66(Pt 6):689–692. doi: 10.1107/S1744309110013266

Table 1. Data collection for mutant VP35 IID proteins.

Values in parentheses are for the highest resolution shell.

  VP35 IID
  R312A K319A/R322A K339A
Space group P6122 P212121 P21
Unit-cell parameters (Å, °) a = b = 81.55, c = 343.50, α = β = 90, γ = 120 a = 51.43, b = 66.07, c = 72.64, α = β = γ = 90 a = 53.39, b = 91.88, c = 102.69, α = γ = 90, β = 99.60
Wavelength (Å) 0.979 0.979 0.979
Resolution (Å) 40.49–1.95 (1.97–1.95) 36.32–1.70 (1.76–1.70) 50.00–2.40 (2.44–2.40)
Rmerge (%) 9.2 (n/a) 8.9 (58.5) 4.4 (43.3)
Average I/σ(I) 27.0 (2.3) 9.4 (2.8) 29.0 (2.8)
Completeness (%) 99.6 (100.0) 97.5 (88.3) 99.8 (100.0)
Multiplicity of observation 11.4 (10.7) 6.34 (4.96) 3.8 (3.7)

R merge = Inline graphic Inline graphic, where i runs over multiple observations of the same intensity and hkl runs over all crystallographically unique intensities.

If R merge exceeds 1.0, SCALEPACK does not report its value because it is uninformative. Instead, the I/σ(I) criterion is used to define resolution cutoff.