Table 4.

Data collection and refinement statistics

Characteristics	Values
Data collection statistics
Unit cell	a = 80.840, b = 117.006, c = 127.823
Space Group	P212121
Unique reflections	42 387
Resolution (highest shell) (Å)	50–2.5 (2.59–2.5)
Rsym (highest shell)	0.076 (0.514)
Completeness (highest shell) (%)	98.6 (99.5)
Average Redundancy	5.6 (4.5)
<I>/<σ(I)> (highest shell)	17.6 (2.8)
Refinement statistics
Final R (Rfree) (%)	21.2 (28.1)
RMSD bonds (Å), angles (deg)	0.007, 1.21
Rotamer outliers (%)	1.77
Ramachandran outliers (%)	0.78
Ramachandran favored (%)	90.4
Average B factors
All atoms	46.9
Protein atoms	47.1
DNA atoms	50.4
Incoming dTTP	31.1
Water atoms	38.8
Calcium atoms	63.1