Table 1.

X-ray diffraction data collection statistics

Aniracetama CX614a
Space group P21 P21
Unit cell dimensions (Å) a = 48.1, b = 64.1, c = 108.0; β = 90.1° a = 114.3, b = 163.7, c = 47.3; β = 90.0°
# Molecules per A.U.b 2 6
Wavelength (λ, Å) 0.9763 0.9795
dmin (Å)c 1.65 (1.75) 1.70 (1.76)
Mean redundancy 2.8 2.5
Rmerge (%)d,e 5.4 (37.4) 7.2 (14.8)
Completenesse 84.7 (66.1) 89.8 (52.1)
  • a Aniracetam was cocrystallized with fluorowillardiine, whereas CX614 was cocrystallized with quisqualate.

  • b Number of protein molecules per asymmetric unit (A.U.).

  • c Values in parentheses define the low-resolution limits for the highest-resolution shell of data.

  • d Rmerge = (Σ|Ii - <Ii>|)/Σ|Ii|, where <Ii> is the mean Ii over all symmetry-equivalent reflections.

  • e Values in parentheses are the statistics for the highest-resolution shell of data.