Table 1

Data collection and refinement statistics

A2A-StaR2-bRIL562 with AZD4635
Data collection
Number of crystals3
Space groupC2221
Cell dimensions
a, b, c (Å)39.55, 179.71, 140.77
 α, β, γ (°)90.00, 90.00, 90.00
Resolution (Å)33.86–2.00
(2.05–2.00)
Rsym or Rmerge0.111 (0.994)
I / σI7.4 (1.35)
Completeness (%)97.9 (97.0)
Redundancy3.1 (3.0)
Refinement
Resolution (Å)2.00
No. reflections33 848
Rwork/Rfree0.182/0.201
No. atoms
 Protein3165
 Ligand22
 Na1
 Cholesterol82
 Lipids404
 Water136
 Other
B-factors
 Protein38.83
 Ligand22.50
 Na44.22
 Cholesterol36.90
 Lipids65.04
 Water44.39
 Other
R.m.s. deviations
 Bond lengths (Å)0.003
 Bond angles (°)0.980
Ramachandran plot statistics (%)
 Favored regions99.5
 Allowed regions0.5
 Disallowed regions0
  • *Values in parentheses are for highest-resolution shell.