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. 2016 Apr 5;72(Pt 5):635–638. doi: 10.1107/S2056989016005302
Refinement on F2 39 restraints
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.041 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.095 w = 1/[σ2(Fo2) + (0.0401P)2 + 0.0691P] where P = (Fo2 + 2Fc2)/3
S = 1.03 (Δ/σ)max < 0.001
5594 reflections Δρmax = 0.27 e Å3
454 parameters Δρmin = −0.18 e Å3