Table 3. Native crystal soaked with lipoic acid.
A. Crystallographic data | |
Resolution | 20–2.1 Å |
Space group | P21 |
Unit cell parameters | |
a (Å) | 53.37 |
b (Å) | 117.87 |
c (Å) | 105.67 |
α (deg.) | 90.00 |
β (deg.) | 93.52 |
γ (deg.) | 90.00 |
B. Merging statistics | |
No. of reflections | 97,539 |
Average redundancy | 4.0 |
Mosaicity (deg.) | 0.8 |
Completeness | 99.7 (99.2) |
R-merge (linear) | 0.064 (0.206) |
Chi2 | 1.023 (0.714) |
C. Refinement statistics | |
RMSD bond length | 0.008 |
RMSD bond angle | 1.095 |
Mean B value (Å2) | 32.5 |
Residues in disallowed regions (%) | 0 |
R-factor (%) | 20.7 |
R-free (%) | 23.9 |