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. 2018 Jul 27;74(Pt 8):1173–1177. doi: 10.1107/S2056989018010745
Refinement on F2 0 restraints
Least-squares matrix: full Hydrogen site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.078 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.214 w = 1/[σ2(Fo2) + (0.1201P)2 + 1.1073P] where P = (Fo2 + 2Fc2)/3
S = 1.06 (Δ/σ)max < 0.001
4716 reflections Δρmax = 1.27 e Å3
279 parameters Δρmin = −0.56 e Å3