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. 2008 Jul 23;64(Pt 8):o1584. doi: 10.1107/S1600536808022708
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)] = 0.064 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.155   w = 1/[σ2(Fo2) + (0.0499P)2 + 10.2476P] where P = (Fo2 + 2Fc2)/3
S = 1.22 (Δ/σ)max = 0.001
3424 reflections Δρmax = 1.08 e Å3
241 parameters Δρmin = −1.82 e Å3
10 restraints Extinction correction: none
Primary atom site location: structure-invariant direct methods