TABLE 1.

Crystallographic data

	Native	Acifluorfen complex
Space group	P4212	P4212
Cell dimensions (a = b, c)	148.6, 131.9	148.9, 132.7
Resolution range, Å	74.3−2.7	49.4−2.3
No. of reflections measured	309,546	139,157
No. of unique reflections	41,382	55,419
I/σ(I) (outer shell)a	14.7 (2.6)	8.7 (1.0)
Completeness (outer shell)a, %	100 (99.8)	75.2 (46.7)
Rsymm (outer shell)a, %	14.5 (57.1)	6.9 (53.1)
R-cryst, %	24.7	23.4
R-freeb, %	28.7	28.3
Average temperature factor, Å2
Protein (mol A/mol B)	31.1/30.6	34.3/33.8
FAD (A/B)	21.1/20.9	28.7/27.2
Acifluorfen (A/B)	NAc	50.5/53.9
Tween (average over 3 molecules (native)/1 molecule (complex))	63.6	65.5
Solvent (no. of water molecules)	17.8 (146)	28.0 (288)
r.m.s.d. from ideal values
Bond lengths, Å	0.006	0.010
Bond angles, °	1.1	1.5

^aOuter shell, 2.85−2.7 Å and 2.38−2.3 Å for the native data and acifluorfen complex, respectively.

^bR-free calculation used 2.1% and 3.1% of the reflections for the native data and acifluorfen complex, respectively.

^cNot applicable.