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. 2008 Feb 29;64(Pt 3):217–220. doi: 10.1107/S1744309108003795

Table 1. Data-collection and reduction statistics of PKS-1 crystals.

Values in parentheses are for the highest resolution shell.

  Crystal A Crystal B
Crystal data    
 Space group P1 P212121
 Unit-cell parameters (Å, °) a = 54.3, b = 59.3, c = 62.6, α = 69, β = 81, γ = 80 a = 53.2, b = 110, c = 130
 Matthews coefficient (Å3 Da−1) 2.2 2.3
 No. of molecules in the ASU 2 2
Data collection    
 Wavelength (Å) 1.0000 1.0000
 Beamline BL5A, Photon Factory BL41XU, SPring-8
 Resolution (Å) 58–1.65 (1.71–1.65) 84–1.55 (1.61–1.55)
 No. of observed reflections 148748 618630
 No. of unique reflections 77414 108156
 Redundancy 1.9 (1.9) 5.7 (4.0)
 〈I/σ(I)〉 29.4 (6.5) 29.3(2.2)
Rmerge 0.052 (0.137) 0.059 (0.303)
 Completeness (%) 90.4 (90.4) 97.3 (86.7)
 Wilson plot B factor (Å2) 19.4 17.7

R merge = Inline graphic Inline graphic.