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. 2012 Jun 28;68(Pt 7):842–845. doi: 10.1107/S1744309112022075

Table 1. Data-collection statistics for PgaB crystals.

Values in parentheses are for the highest resolution shell.

Crystal Native PgaB42–672, in situ proteolysis (Fig. 2 d) SeMet PgaB42–655 (Fig. 2 e)
Wavelength (Å) 1.08 0.98
Temperature (K) 100 100
Space group P212121 P212121
Unit-cell parameters (Å, °) a = 91.0, b = 102.9, c = 151.9, α = β = γ = 90 a = 91.1, b = 102.4, c = 150.9, α = β = γ = 90
Resolution (Å) 50.0–2.50 (2.59–2.50) 50.0–2.10 (2.18–2.10)
No. of reflections 713318 1108638
No. of unique reflections 50019 82493
Multiplicity 14.3 (14.3) 13.5 (12.6)
Completeness (%) 100.0 99.9 (99.3)
Average I/σ(I) 10.0 (2.6) 7.50 (2.8)
R merge (%) 10.8 (54.3) 11.7 (59.7)

R merge = Inline graphic Inline graphic, where I i(hkl) and 〈I(hkl)〉 represent the diffraction-intensity values of the individual measurements and the corresponding mean values, respectively. The summation is over all unique measurements.