Table 1 Crystallographic data collection, processing and refinement
Data collectionPfAPPApstatin:PfAPP
Space groupC 1 2 1C 1 2 1
Cell dimensions
a, b, c (Å)146.7, 100.1, 106.7147.2, 99.9, 105.2
α, β, γ (°)90.0, 105.4, 90.090.0, 105.2, 90.0
Resolution (Å)70.75–2.35 Å71.03–2.30 Å
(2.41–2.35 Å)(2.36–2.30 Å)
Total observations229 848 (17 146)237 546 (16 840)
Unique observations61 665 (4530)65 055 (4547)
Multiplicity3.7 (3.8)3.7 (3.7)
Completeness (%)99.5 (99.2)99.6 (99.8)
Graphic8.2 (1.4)8.7 (1.4)
CC(1/2)0.995 (0.553)0.997 (0.602)
Rpim (%)6.9 (68.5)5.5 (64.4)
PDB5JQK5JR6
Structure refinement
 Non-hydrogen atoms
  Protein96028973
  Solvent525203
  Metal (Mn)44
  Ligand033
  Rfree (%)22.624.3
  Rcryst (%)18.919.6
 RMS deviations
  Bond lengths (Å)0.0030.007
  Angles (°)0.8511.09
 Ramachandran plot
  Favored (%)98.797.6
  Outliers (%)00
B factors (Å2)
  Protein64.068.2
  Solvent59.958.3
  Ligand86.0
 Molprobity (percentile)9792