Table II. Refinement statistics.

	Native	APS complex	APS–PPi complex
Space group	R32	R32	R32
Cell constants
a	187.1	185.9	186.0
b	187.1	185.9	186.0
c	115.9	223.7	223.7
α	90	90	90
β	90	90	90
γ	120	120	120
Resolution range (Å)	20.0–1.95	25.0–2.6	25.0–2.8
Reflections in working set	55 315	45 468	35 298
Reflections in test set	2835	2337	1801
Rcryst (%)	19.7	17.6	19.3
Rfree (%)	23.2	22.7	24.4
Protein atoms (non-H)	4077	8154	8154
Nucleotide atoms	–	54	63
Heterogen atoms (non-H)	73	120	120
Solvent molecules	566	763	600
Average B-factor (Å2)	35.4	35.1	35.9
R.m.s.ds
bond lengths (Å)	0.0104	0.0097	0.0068
bond angles	1.49	1.56	1.32
ΔB (through bonds) (Å2)	1.83	1.72	1.42

R_{cryst free} = Σ|F_obs – F_calc|/Σ|F_obs|