Table 1. Data collection and refinement statistics
GlpG‐Native enzymeAcyl enzyme
Data collection
Beam lineX06SAIO2
Space groupR32R32
Cell dimensions
a, b, c (Å)110.4, 110.4, 127.8110.6, 110.6, 122.1
 γ (deg)120120
Resolution (Å)55.20–1.65 (1.74–1.65)a44.62–2.09 (2.20–2.09)a
Rmerge0.055 (0.575)0.054 (0.394)
II12.4 (2.4)16.3 (2.9)
Completeness (%)99.8 (100)97.0 (85.4)
Redundancy4.5 (4.2)4.9 (3.5)
Refinement
Resolution (Å)34.77–1.65 (1.69–1.65)a31.16–2.09 (2.22–2.09)a
No. of reflections36 03816 657
Rwork/Rfreeb0.192/0.2180.198/0.242
(0.26/0.275)a(0.248/0.276)a
No. of atoms
 Total17331606
 Protein14421426
 Heteroatoms204142
 Water8738
B‐factors (Å2)
 Total29.744.7
 Protein26.743.5
 Detergent47.5758.2
 Ligand38.7
 Water38.847.0
RMSD
 Bond lengths (Å)0.0060.007
 Bond angles (deg)1.01.1
Maximum likelihood coordinate error (Å)0.170.24
  • a Values in parentheses are for highest‐resolution shell.

  • b Rfree was calculated using a randomly selected subset of reflections (5%), remaining (95%) reflections was used for calculation of Rwork.