Table 1. Data-collection statistics for wild-type DhaA crystals.

Values in parentheses are for the highest resolution shell.

Ligand	2-Propanol†	2-Propanol‡	TCP
Radiation source	Bruker FR591	X12, DESY	14.1, BESSY
Detector	MAR345	225 mm MAR Mosaic CCD	225 mm MAR Mosaic CCD
Wavelength (Å)	1.542	1.033	0.918
No. of images		130§/400¶	380§/380¶/380††
Rotation range per image (°)		1.5§/0.5¶	0.5§/0.5¶/0.5††
Resolution range (Å)	22.94–1.75 (1.84–1.75)	50.0–1.26 (1.31–1.26)	30.0–1.04 (1.14–1.04)
Space group	P1	P1	P1
Unit-cell parameters (Å, °)	a = 42.71, b = 44.51, c = 46.40, α = 115.40, β = 98.10, γ = 109.4	a = 42.65, b = 44.48, c = 46.33, α = 115.39, β = 98.05, γ = 109.4	a = 42.56, b = 44.37, c = 46.30, α = 115.151, β = 97.59, γ = 109.80
Measured reflections	58098	166175	662439
Unique reflections	25072	69951	125718
Multiplicity	2.3	2.4	5.3
Completeness (%)	90.5 (87.4)	94.3 (90.2)	95.6 (89.8)
Rmerge‡‡ (%)	5.0 (30.9)	3.7 (11.3)	8.0 (35.8)
Rmeas/Rr.i.m.§§ (%)	6.0 (31.9)	4.5 (15.3)	7.2 (54.8)
〈I/σ(I)〉	15.0 (3.9)	29.9 (6.8)	17.53 (4.9)

^†The concentration of 2-propanol in the crystallization solution was 6%(v/v).

^‡The concentration of 2-propanol in the crystallization solution was 11%(v/v).

^§Low-resolution pass.

^¶High-resolution pass.

^††Third pass (change in κ).

^‡‡ R _merge = , where I_i(hkl) is the intensity of the ith measurement of reflection hkl and 〈I(hkl)〉 is the average intensity of this reflection.

^§§ R _meas/R _r.i.m. = , where N is the redundancy of the observed reflection.