Table 1. X-ray Data Collection and Refinement Statistics.

PDB entry	4W6Z
space group	P321
no. of different subunits in the asymmetric unit	4
cell dimensions (Å)	144.39, 144.39, 128.20
cell angles (deg)	90, 90, 120
resolution range (Å)	28.1–2.4
no. of measured reflections (total, unique)	229310, 59568
completeness (%) (outer shell)	98.5 (92.7)
Rmeas (outer shell)a	0.134 (0.484)
mean ⟨I⟩/σ⟨I⟩ (outer shell)	8.0 (3.5)
Rvalue, Rfree, test (%)b	0.178, 0.222, 2.5
rmsdc for bond distances (Å), angles (deg)	0.015, 1.82
no. of protein atoms	10328
8 Zn, 2 NAD(8-Iodo), 4 TFE atoms	122
no. of waters	151
mean B value (Å2), Wilson, REFMAC	39.4, 40.2
estimated coordinate error (Å)	0.15

^aR_meas = R_rim, with redundancy-independent merging.¹¹⁵

^bR_value = (∑|F₀ – kF_c|)/∑|F₀|, where k is a scale factor. R_free was calculated with the indicated percentage of reflections not used in the refinement.¹¹⁶

^cRoot-mean-square deviations from ideal geometry.