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. 2008 Mar 29;64(Pt 4):o769. doi: 10.1107/S1600536808008155
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)] = 0.032 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.091   w = 1/[σ2(Fo2) + (0.0494P)2 + 0.0939P] where P = (Fo2 + 2Fc2)/3
S = 1.08 (Δ/σ)max = 0.001
2087 reflections Δρmax = 0.19 e Å3
148 parameters Δρmin = −0.23 e Å3
1 restraint Extinction correction: none
Primary atom site location: structure-invariant direct methods