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. Author manuscript; available in PMC: 2021 Jun 4.
Published in final edited form as: J Mol Biol. 2005 Dec 5;356(3):625–37. doi: 10.1016/j.jmb.2005.11.057

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