Table 5.

Crystallographic Data Summary

Protein	MycCI
Ligand	Mycinamicin VIII
PDB ID	5FOI
Data collection
Space group	P1
Cell dimensions
a, b, c (Å)	54.8, 59.5, 74.6
α, β, γ (°)	83.2, 72.2, 62.6
Molecules in AU	2
Wavelength	1.11587
Resolution (Å)	2.21
Rsym (%)	24.4
I/σI	3.8 (1.3)a
Completeness (%)	91.1 (71.2)
Redundancy	2.0 (1.9)
Refinement
No. reflections	34383
Rwork/Rfree (%)	18.2/25.2
No. atoms
Protein	6013
Heme	86
Substrate	72
Solvent	147
Mean B value	27.2
B-factors
Protein	27.9
Heme	17.0
Substrate	21.0
Solvent	28.6
RMSD
Bond lengths (Å)	0.014
Bond angles (°)	1.907

^aValues in parentheses are for the highest resolution shell.