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. 2008 Nov 8;64(Pt 12):o2286–o2287. doi: 10.1107/S1600536808035939
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)] = 0.038 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.105   w = 1/[σ2(Fo2) + (0.0493P)2 + 0.6489P] where P = (Fo2 + 2Fc2)/3
S = 1.04 (Δ/σ)max = 0.001
3929 reflections Δρmax = 0.26 e Å3
242 parameters Δρmin = −0.27 e Å3
Primary atom site location: structure-invariant direct methods Extinction correction: none