TABLE 1

Statistics on diffraction data and structure refinement

Data Collection
Space group P212121
Unit cell (a, b, c, Å) 68.9, 87.8, 138.5
Resolution (Å) 2.07
Unique reflections 47,379
-Fold of redundancy 12.9
Completeness (%) 91.1 (48.2)a
Average I/σ 12.0 (3.6)a
Rmerge 0.051 (0.28)a
Structure Refinement
R factor 0.216
Rfree 0.248 (10%)b
Resolution (Å) 30-2.07
Reflections 45,502
RMS deviation for Bond (Å) 0.006
Angle 1.1°
Average B-factor (Å2)
Protein 43.4 (4720)c
Vardenafil 35.2 (68)c
Waters
40.3 (183)c

  • ↵ a The numbers in parentheses are for the highest resolution shell.

  • ↵ b The percentage of reflections omitted for calculation of Rfree.

  • ↵ c The number of atoms in the crystallographic asymmetric unit.