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. 2005 Sep 28;25(39):9027–9036. doi: 10.1523/JNEUROSCI.2567-05.2005

Table 2.

Refinement statistics




Aniracetam

CX614
Resolution (Å) 30.0-1.65 30.0-1.70
Rwork (%)a 19.9 20.9
Rfree (%)b 22.1 22.3
# Protein atoms 4024 11776
# Water molecules 711 776
# Ligand atoms 62 196
Mean B value (Å2) 18.3 19.2
rms deviations from ideality: bonds/angles (Å/°)
0.005/1.22
0.005/1.20

cIn the refinements, there were two aniracetam and two fluorowillardiine molecules in the Ani/FW complex and six CX614 and six quisqualate molecules in the CX614/Quis complex.

a

Rwork = (Σ∥Fo| - |Fc∥)/Σ|Fo|, where Fo and Fc denote observed and calculated structure factors, respectively.

b

Ten percent of the reflections were set aside for calculation of Rfree.