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. 2015 Mar 17;10(3):e0115634. doi: 10.1371/journal.pone.0115634

Table 2. Refinement statistics.

Resolution range (Å) 30–2.3
Reflections 54302
Atoms 4902
a R-factor 0.178
b R free 0.218
Bond-length deviation from ideality (Å) 0.008
Bond-angle deviation from ideality (°) 1.1
Molprobity scores
Ramachandran regions (%)
Favored 97
Allowed 3
Outliers 0
Clashscore 4.0
Average B (protein atoms) (Å2) 40
Average B (water molecules) (Å2) 43
Average B (acetate ions) (Å2) 42
Average B (AcCoA) (Å2) 67

a R=h|(|Fobs||Fcalc|)|h|Fobs|

b The free R-factor was calculated on 5% of the data omitted at random.