Table 2.

X-ray Diffraction Data Collection and Refinement Statistics for the EisC204A-CoA-Inhibitor 39 Ternary Complex Structure (PDB 5IV0)

Data Collection
space group	R32
no. of monomers per asymmetric unit	1
unit cell dimensions
a, b, c (Å)	175.2, 175.2, 122.3
α, β, γ (deg)	90, 90, 120
resolution (Å)	50.0-2.1 (2.14-2.10)a
I/σ	16 (2.1)
completeness (%)	95.8 (97.7)
redundancy	3.9 (3.8)
Rmerge	0.08 (0.50)
no. of unique reflections	37907
Structure Refinement Statistics
resolution (Å)	40.0-2.1
R (%)	19.4
Rfree (%)	21.9
bond length deviation (rmsd) from ideal (Å)	0.006
bond angle deviation (rmsd) from ideal (deg)	1.35
Ramachandran plot statisticsb
% of residues in most allowed regions	93.8
% of residues in additional allowed regions	6.2
% of residues in generously allowed regions	0.0
% of residues in disallowed regions	0.0 (0 residues)

^aNumbers in parentheses indicate the values in the highest-resolution shell.

^bIndicates Procheck statistics.²⁹