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. 2008 Jul 5;64(Pt 8):o1418. doi: 10.1107/S1600536808020047
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)] = 0.055 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.165   w = 1/[σ2(Fo2) + (0.0985P)2] where P = (Fo2 + 2Fc2)/3
S = 0.89 (Δ/σ)max < 0.001
2626 reflections Δρmax = 0.61 e Å3
169 parameters Δρmin = −0.32 e Å3
2 restraints Extinction correction: none
Primary atom site location: structure-invariant direct methods