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. 2008 Nov 8;64(Pt 12):o2250. doi: 10.1107/S160053680803506X
Refinement on F2 Secondary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.031 H-atom parameters constrained
wR(F2) = 0.085   w = 1/[σ2(Fo2) + (0.042P)2 + 0.4644P] where P = (Fo2 + 2Fc2)/3
S = 1.02 (Δ/σ)max < 0.001
2604 reflections Δρmax = 0.46 e Å3
181 parameters Δρmin = −0.46 e Å3
Primary atom site location: structure-invariant direct methods Extinction correction: none