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) |
Aniracetam was cocrystallized with fluorowillardiine, whereas CX614 was cocrystallized with quisqualate.
Number of protein molecules per asymmetric unit (A.U.).
Values in parentheses define the low-resolution limits for the highest-resolution shell of data.
Rmerge = (Σ|Ii - <Ii>|)/Σ|Ii|, where <Ii> is the mean Ii over all symmetry-equivalent reflections.
Values in parentheses are the statistics for the highest-resolution shell of data.