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. 2020 Oct 30;76(Pt 11):1779–1793. doi: 10.1107/S2056989020014097
Refinement on F2 Primary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.039 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.081 w = 1/[σ2(Fo2) + (0.0402P)2] where P = (Fo2 + 2Fc2)/3
S = 0.97 (Δ/σ)max < 0.001
2895 reflections Δρmax = 0.14 e Å3
263 parameters Δρmin = −0.17 e Å3
4 restraints Absolute structure: Flack x determined using 493 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013)