TABLE 1.

Data collection and refinement statistics

	YenR-LBD	YenR-LBD-OHHL	CepR2
Data collection
Space group	C2221	C2221	P21
Cell dimensions
a, b, c (Å)	64.37, 123.40, 106.91	63.88, 122.78, 107.60	120.28, 74.59, 118.03
α, β, γ (°)	90, 90, 90	90, 90, 90	90, 117.3, 90
Protein molecules/ASU	2	2	6
Temperature (K)	100	100	100
Radiation source	APS, 19-ID	APS, 19-ID	APS, 19-ID
Wavelength (Å)	0.9792	0.9792	0.9792
Resolution (Å)a	2.20 (2.23–2.20)	2.00 (2.03–2.00)	2.75 (2.80–2.75)
Unique reflections	21587 (1061)	29198 (1422)	48922 (2403)
Rmergeb	0.098 (0.703)	0.082 (0.616)	0.095 (0.798)
〈I〉/〈σI〉	17.1/3.1	23.9/5.3	12.6/1.9
Completeness (%)	97.3 (95.8)	99.9 (100)	99.1 (99.4)
Redundancy	5.5 (4.9)	6.5 (6.6)	3.1 (2.9)
Refinement
Resolution (Å)	2.20	2.00	2.75
Reflections: work/test set	19505/1054	26360/2774	40872/2158
Rcryst/Rfreec	0.175/0.214	0.171/0.203	0.184/0.218
No. of atoms: protein/ligandsd/water	2690/64/75	2718/93/136	7911/61/100
Average B factor (Å2): protein/ligands/water	45.9/77.0/43.1	34.7/49.2 (24.9)e/38.8	51.9/72.4/37.9
Bond lengths (Å)	0.008	0.009	0.004
Bond angles (°)	0.892	0.997	0.661
Ramachandran plot
Most favored	96.9	98.8	97.3
Outliers	0.0	0.0	0.41
PDB code	5L07	5L09	5L10
Crystallization conditions	0.1 M sodium acetate pH 4.5, 2.5 M ammonium sulfate, 16°C	0.1 M sodium acetate pH 4.5, 2.5 M ammonium sulfate, 16°C	0.2 M Sodium formate, 20% w/v Polyethylene glycol 3,350

ASU, Asymmetric Unit.

^aValues in parentheses correspond to the highest-resolution shell.

^bR_merge = Σ_hklΣ_i|I_i(hkl)- 〈I(hkl)〉|/Σ_hklΣ_i|〈I_i(hkl)〉|, where I_i(hkl) is the intensity for the ith measurement of an equivalent reflection with indices h, k, and l.

^cR_cryst = Σ_hkl||F_obs| - |F_calc||/Σ_hkl |F_obs|, where F_obs and F_calc are observed and calculated structure factors, respectively. R_free is calculated analogously for the test reflections, which were randomly selected and excluded from the refinement.

^dLigands include all atoms excluding protein and water atoms.

^eAverage B factor for OHHL.