Table 2. Summary of X-ray Data Collection and Refinement Statistics.

data collection	cpOYE303 (4RNU)	cpOYE154 (4RNX)	cpOYE303T (4RNW)	cpOYE303inh (4RNV)
space group	P1	P1	P21	P1
cell dimensions	a = 45.67 Å, b = 87.69, c = 113.71	a = 44.09 Å, b = 57.98 Å, c = 85.90 Å	a = 64.25 Å, b = 73.00 Å, c = 84.74 Å	a = 45.6 Å, b = 88.1 Å, c = 105.6 Å
	α = 69.34°, β = 82.60°, γ = 90.06°	α = 102.46°, β = 98.36°, γ = 111.19°	α = 90°, β = 101.27°, γ = 90°	α = 89.45°, β = 81.43°, γ = 89.88°
beamline (SERCAT)	APS 22-BM	APS 22-BM	APS 22-ID	APS 22-BM
wavelength (Å)	1	1	1	1
resolution (Å)a	38.78–2.69 (2.79–2.69)	27.11–1.25 (1.29–1.25)	28.98–1.55 (1.61–1.55)	34.8–2.47 (2.58–2.47)
Rmergeb	0.107(0.829)	0.075(0.681)	0.120(0.799)	0.098 (0.607)
⟨I/σI⟩c	13.8(1.9)	17.0(1.9)	13.7(1.9)	10.8 (1.8)
completeness (%)a	92.0(92.9)	95.1(92.0)	98.0(96.6)	98.7 (97.9)
redundancya	6.0(5.4)	4.2(4.0)	5.8(5.4)	3.2 (3.1)
obs reflections	253 086	831 001	629 067	182 865
unique reflectionsa	42 123 (4241)	196 866 (19 029)	108 578 (10 639)	56 814 (5641)
Refinement
resolution (Å)	2.69	1.25	1.55	2.47
no. reflections	41 949	196 804	108 290	56 763
Rwork/Rfreed,e	0.241/0.279	0.134/0.162	0.190/0.216	0.219/0.251
twin law/fraction	–h, k, k – l/0.11
no. atoms
protein	11 891	6257	6038	12 144
solvent	112	1145	1007	267
other heteroatoms	144	62	92	160
B factors (Å2)
protein	81.5	12.1	18	52.9
solvent	44.5	28.4	31.4	35.8
other heteroatoms	81.9	7.4	13.7	45.5
rms Deviations
bond lengths (Å)	0.002	0.003	0.005	0.002
bond angles (deg)	0.5	0.9	1.0	0.6

^aValues in parentheses correspond to highest resolution shell.

^bR_merge = Σ|I – ⟨I⟩|/Σ I, where I is the observed intensity and ⟨I⟩ is the averaged intensity from multiple observations.

^c⟨I/σI⟩ = averaged ratio of the intensity (I) to the error of the intensity (σI).

^dR_work = Σ|F_obs – F_cal|/Σ|F_obs|, where F_obs and F_cal are the observed and calculated structure factors, respectively.

^eR_free was calculated using a randomly chosen subset (5%) of the reflections not used in refinement.