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. 2010 Sep 8;66(Pt 10):m1226–m1227. doi: 10.1107/S1600536810034999
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.051 Hydrogen site location: difference Fourier map
wR(F2) = 0.167 H atoms treated by a mixture of independent and constrained refinement
S = 1.14 w = 1/[σ2(Fo2) + (0.0959P)2] where P = (Fo2 + 2Fc2)/3
14856 reflections (Δ/σ)max = 0.006
787 parameters Δρmax = 1.40 e Å3
12 restraints Δρmin = −1.14 e Å3