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. 2008 Oct 4;64(Pt 11):o2070. doi: 10.1107/S1600536808031395
Refinement on F2 Secondary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.040 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.101 w = 1/[σ2(Fo2) + ]
S = 0.90 (Δ/σ)max = 0.001
3119 reflections Δρmax = 0.31 e Å3
212 parameters Δρmin = −0.24 e Å3
3 restraints Absolute structure: Flack (1983), 1493 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: 0.026 (12)