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. 2008 Nov 13;64(Pt 12):m1540. doi: 10.1107/S1600536808035241
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-atom parameters constrained
wR(F2) = 0.121   w = 1/[σ2(Fo2) + (0.0376P)2 + 11.7921P] where P = (Fo2 + 2Fc2)/3
S = 1.12 (Δ/σ)max = 0.006
6703 reflections Δρmax = 1.90 e Å3
353 parameters Δρmin = −2.13 e Å3
10 restraints Extinction correction: none
Primary atom site location: structure-invariant direct methods