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