TABLE 1

Data collection and refinement statistics

A2AR-GL31 CGS21680 Monoclinic (Two Crystals)A2AR-GL31 CGS21680 Orthorhombic (Two Crystals)
Data collectiona
 Space groupP21P212121
 Cell dimensions
  a, b, c (Å)60.4, 59.2, 65.157.2, 105.9, 125.9
 α, β, γ (°)90.0, 92.8, 90.090.0, 90.0, 90.0
 Resolution (Å)b45.34–2.60 (2.74–2.60)54.10–2.60 (2.74–2.60)
 Rsym or Rmerge0.100 (0.560)0.194 (1.039)
 I/σI7.4 (1.9)9.6 (2.3)
 Completeness (%)95.1 (97.0)99.2 (99.0)
 Redundancy3.4 (3.4)9.7 (9.8)
Refinement
 Resolution (Å)64.9–2.6125.8–2.6
 No. reflections1356223995
 Rwork/ Rfree0.259/0.3120.239/0.271
 No. atoms
  All24464542
  Proteins24014404
  Ligands3672
  Lipids050
  Waters916
 B factors
  All55.039.6
  Proteins54.939.6
  Ligands62.933.3
  Lipidsn/a49.1
  Waters43.033.6
 R.m.s. deviations
  Bond lengths (Å)0.0060.006
  Bond angles (°)1.021.02

  • n/a, not applicable; R.m.s., root mean square.

  • ↵a Structures were determined from data collected from two crystals for each space group.

  • ↵b Highest resolution shell is shown in parentheses.