. 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