TABLE 5.

Data collection and refinement statistics for the L233G/L234G SULT2A1-PAPS structure

Data collection
Space group	P212121
Cell dimension
a, b, c (Å)	73.37, 94.68, 129.47
α, β, γ (°)	90.00, 90.00, 90.00
Resolution (Å)	50.0-2.30 (2.34-2.30)a
I/σ	23.5 (2.3)
Completeness (%)	100.0 (100.0)
Redundancy	5.9 (6.0)
Rmerge	0.074 (0.744)
Refinement
Number of reflections used	35,380
Protein non-hydrogen atoms	4,562
Ligand atoms	84
Water molecules	209
Rwork	0.173
Rfree	0.213
r.m.s.d.b from ideal geometry
Bond Length (Å)	0.011
Bond Angles (°)	1.53

^a Numbers in parentheses correspond to the highest resolution shell.

^b Root mean square deviation.