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Table 1 Crystallographic data statistics

From: Crystal structure reveals conservation of amyloid-β conformation recognized by 3D6 following humanization to bapineuzumab

  3D6Aβ1-7 3D6Aβ1-40
Space group C2 P2221
Unit cell lengths (Å) a = 126.8 a = 40.0
angles (°) b = 69.4 b = 84.9
  c = 61.7 c = 175.9
  β = 115.4  
Resolution Å(last shell) 2.0 (2.05) 2.2 (2.26)
Rsym(last shell)a 6.5 (23.0) 5.9 (18.9)
Mean((I)/σ(I)) 15.0 (5.0) 19.9 (7.9)
% completeness (last shell) 100 (100) 100 (100)
Average multiplicity 3.8 (3.7) 5.8 (5.9)
Residues in final model (total) 1-218 (219) 1-204,
Light chain 1–132, 207–216 (219)
Heavy chain 140–219 (222) 1–100, 103–132,
   140–219 (222)
  1-6  
  1-5
Rfreea 20.4 22.7
Ra 15.8 17.7
Average B (Å2) 28.5 29.4
Bond length RMSD (Å) 0.007 0.008
Angle RMSD (°) 1.1 1.2
Ramachandran plot: (% in preferred/ allowed/ outliers regions)b 97.2/2.8/0.0 95.8/3.9/0.3
  1. aRsym = ∑ hI(| Ii(h) - < I(h) > |) /∑h ∑ iIi(h) where Ii(h) = observed intensity, and < I(h) > = mean intensity obtained from multiple measurements. R and Rfree = ∑ h|Fo(h) - Fc(h)| /∑hFo(h), where Fo(h) = observed structure factor amplitude and Fc(h) = calculated structure factor amplitude for the working and test sets, respectively. bAs defined in Coot. RMSD, root mean square deviation of atomic position.