Table 1.

Data collection and refinement statistics

StatisticValue
Data collection
 Space groupP21
 Wavelength,Å0.9184
 Cell dimensions
  a, b, c, Å72.4, 97.1, 101.1
  α, β, γ90.0, 98.4, 90.0
 Resolution, Å50.0–1.80 (1.85–1.80)*
Rmerge0.106 (0.586)
Rp.i.m.0.051 (0.292)
II10.4 (2.0)
 Completeness, %98.6 (97.0)
 Multiplicity5.1 (4.8)
Refinement
 Resolution, Å35.8–1.8 (1.84–1.80)
 No. of reflections119,356 (6,310)
Rwork/ Rfree0.168/0.220 (0.306/0.350)
 No. of atoms
  Protein10,200
  Ligand/ion172
  Water1,762
B-factors
  Protein21.9
  Ligand/ion16.8
  Water33.2
 rmsd
  Bond lengths, Å0.019
  Bond angles, °2.721
  • * Values in parentheses represent the highest-resolution shell.