Table 1. Data collection and refinement statistics on the apo and complex structures of TS_VZV.

	Apo TSVZV (4XSE)	TSVZV+dUMP (4XSD)	TSVZV+BVDUP (4XSC)
Data Collection
Beamline	AS MX1	AS MX1	AS MX1
Wavelength (Å)	0.9537	0.9537	0.9537
Resolution Range (Å)	29.7–3.1 (3.1–3.2) a	30.0–2.9 (2.9–3.0)b	30.0–2.9 (2.9–3.0) b
Space group	p32	p32	p32
Unit cell	153.4 Å 153.4 Å 89.2 Å	150.2 Å 150.2 Å 89.2 Å	149.5 Å 149.5 Å 89.0 Å
	90.0° 90.0° 120.0°	90.0° 90.0° 120.0°	90.0° 90.0° 120.0°
Total reflections	155476	1195011	94756
Unique reflections	42243	49612	46238
I/I(σ)	8.5 (2.4) a	19.8 (3.9) b	8.1 (1.9) b
Multiplicity	3.7 (3.4) a	5.5 (5.2) b	1.5 (1.5) b
Completeness (%)	99.2 (97.5) a	100.0 (99.9) b	96.2 (95.3) b
Rmerge c (%)	12.7 (47.5) a	6.9 (38.0) b	9.7 (40.3) b
Refinement
Rfactor d (%)	23.8	24.0	19.6
Rfree e (%)	26.8	28.0	23.5
Protein residues	1116	1081	1244
Solvent	0	9	30
Ligands	4 phosphate ions	4 dUMP	4 BVDUP
			4 1PE
RMSD bonds (Å)	0.5	0.0045	0.002
RMSD angles (°)	1.134	0.882	0.585
Ramachandran favored (%)	95	96	94.4
Ramachandran allowed (%)	5	4	5.1
Ramachandran outliers (%)	0	0	0.5
Rotamer outliers (%)	4.4	6.4	0.8

^a The values in the parentheses are for the highest resolution shell (3.1–3.2 Å).

^b The values in the parentheses are for the highest resolution shell (2.9–3.0 Å).

^c $R_{merge}=\frac{\left[{{\displaystyle \sum }}_{hkl}{{\displaystyle \sum }}_i\left|I_i\left(hkl\right)-\overline{I}\left(hkl\right)\right|\right]}{\left[{{\displaystyle \sum }}_{hkl}{{\displaystyle \sum }}_i\overline{I}\left(hkl\right)\right]}\times 100$, where I _i is the ith intensity measurement of reflection hkl, Ī(hkl) is the mean intensity measurement of the symmetry related or replicated reflections of the unique reflection hkl.

^d $R_{factor}=\frac{\left[{{\displaystyle \sum }}_{hkl}\left|F_{obs}\left(hkl\right)-F_{calc}\left(hkl\right)\right|\right]}{\left[{{\displaystyle \sum }}_{hkl}{F}_{obs}\left(hkl\right)\right]}\times 100$, where F _obs and F _calc are the observed and calculated structure factors respectively.

^e R_free is equivalent to R_factor but 5% of the measured reflections have been excluded from refinement and set aside for cross validation.