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. 2008 Nov 8;64(Pt 12):o2296. doi: 10.1107/S160053680803599X
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)] = 0.042 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.120   w = 1/[σ2(Fo2) + (0.0551P)2 + 0.5359P] where P = (Fo2 + 2Fc2)/3
S = 1.02 (Δ/σ)max = 0.003
5479 reflections Δρmax = 0.22 e Å3
461 parameters Δρmin = −0.32 e Å3
8 restraints Extinction correction: none
Primary atom site location: structure-invariant direct methods