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. 2005 Nov 24;61(Pt 12):1062–1064. doi: 10.1107/S1744309105035876

Table 1. Diffraction, data-collection and reduction statistics for TRCF selenomethionyl-substituted crystals.

Values in parentheses are for the highest resolution shell.

  SeMet1 SeMet2
Space group C2 C2
Molecules per ASU 2 2
Unit-cell parameters (Å, °) a = 151.7, b = 162.2, c = 162.1, β = 104.9 a = 151.9, b = 162.0, c = 161.7, β = 105.1
Wavelength (Å) 0.98166 0.97899
Resolution (Å) 40–4.0 (4.14–4.0) 40–3.2 (3.31–3.20)
Reflections measured 228334 300181
Unique reflections 62430 122388
Completeness (%) 99.6 (100) 99.9 (99.9)
Redundancy 3.7 (3.7) 2.5 (2.0)
I/σ(I)〉 10.9 (2.9) 12.4 (2.5)
Rsym (%) 12.9 (50.2) 0.08 (37.7)
SAD figure of merit 0.17  

R sym = Inline graphic, where I is the observed intensity and 〈I〉 is the average intensity of multiple observations of symmetry-related reflections.