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. Author manuscript; available in PMC: 2020 May 7.
Published in final edited form as: Commun Chem. 2019 Jul 3;2:77. doi: 10.1038/s42004-019-0172-x

Table 1.

Data collection and refinement statistics

mitoNEET-furosemide
Data collection
  Wavelength (Å) 1.74
  Space group I 41 2 2
Cell dimensions
  a, b, c (Å) 58.83, 58.83, 176.75
  α, β, γ (°) 90, 90, 90
 Resolution (Å) 30.30–1.95 (2.02–1.95)
 Rsym or Rmerge 0.0353 (0.2533)
 I /σI 40.90 (2.24)
 Completeness (%) 99.92 (100.00)
 Redundancy 21.8 (21.1)
Refinement
 Resolution (Å) 30.30–1.95 (2.02–1.95)
 No. of reflections 11791 (1146)
 Rwork/Rfree 19.97/22.1
 No. of atoms 689
  Macromolecules 617
  Ligand/ion 25
  Solvent 47
B-factors
  Macromolecules 42.34
  Ligand/ion 93.30
  Solvent 41.38
R.m.s. deviations
  Bond lengths (Å) 0.010
  Bond angles (°) 1.75

Values in parentheses are for highest-resolution shell.