Table 1.

Refinement statistics for B. anthracis phosphoglucosamine mutase

Parameter	Value(s) for BaPNGM
Resolution range (Å)	43.0-2.70
Rworkb/Rfreec	0.21/0.28 (0.36/0.45)a
No. of:
Protein residues (chain A/B)	445/444
Protein atoms	6,435
Water molecules	17
Phosphate ions	8
RMSD bonds/angles (Å/°)	0.017/1.865
Ramachandran plot (%)d	92.1/6.1/1.8
Avg B-factors (Å2)
Wilson	93.0
Protein	89.5
Water	83.3
Phosphate ions	129.5

^aNumbers in parentheses indicate value for highest resolution shell (2.77 to 2.70 Å).

^bR_work = ∑_hklW||F_o| − k|F_c ||/∑_hklW|F_o|, where W is the working set and hkl are the lattice points of the crystal.

^cR_free = ∑_hklT||F_o| − k|F_c||/∑_hklT|F_o|, where T is the test set obtained by randomly selecting 5% of the data.

^dResidues in favored/allowed/outlier regions of the Ramachandran plot were calculated using RAMPAGE (14).