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. 2008 May 3;64(Pt 6):o950. doi: 10.1107/S1600536808012385
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)] = 0.037 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.089   [exp(3(sinθ/λ)2)]/ [σ2(Fo2) + (0.0389P)2] where P = 0.33333Fo2 + 0.66667Fc2
S = 1.06 (Δ/σ)max = 0.002
2311 reflections Δρmax = 0.21 e Å3
157 parameters Δρmin = −0.16 e Å3
1 restraint Extinction correction: none
Primary atom site location: structure-invariant direct methods