Table 1.

- Data Collection and Refinement Statistics for the PoxA/AMP Complex

Data collection
Space group	P21
Cell dimensions
a, b, c (Å), β (°)	69.9, 68.9, 73.3, 110.3,
Wavelength (Å)	1.54178
Resolution (Å)	50–1.85
Rmerge (%)a	0.146(0.561)
I/σI	20.0(3.8)
Completeness (%)	96.1(97.0)
Redundancy	4.0(4.1)

Refinement
Resolution (Å)	47.5–1.95
No. reflections	43960(2339)
Rwork (%)b	18.4
Rfree (%)c	23.9
No. atoms
Protein	5228
Water	645
Other (including nucleotide)	77
B-factors (Å2)
Overall	25.7
Protein	24.5
Water	34.8
Other (including nucleotide)	28.0
r.m.s. deviations
Bond lengths (Å)	0.013
Bond angles (°)	1.4

Values in parentheses are for the highest-resolution shell.

^a$R_{\mathit{merge}}={\sum }_{hkl}\mid I-\langle I\rangle \mid ∕{\sum }_{hkl}^I$

^bR_work = Σ|F_obs − F_cale|/Σ|F_obs|, where F_obs and F_calc are the observed and the calculated structure factors, respectively.

^cR_free calculated using 5% of total reflections randomly chosen and excluded from the refinement