Table 4. Crystal Data and Refinement Parameters for the Ternary (protein·DNA·dGTP) Complexes of Dpo4.

	14C·M1dG	M1dG·dGTP
X-ray source	APS (LS-CAT)	APS (LS-CAT)
beamline	ID-21	ID-21
detector	MAR CCD	MAR CCD
wavelength (Å)	0.98	0.98
temperature (K)	110	110
no. of crystals	1	1
space group	P21212	P21212
unit cell [a, b, c (Å)]	92.61, 103.14, 52.00	93.54, 102.54, 52.18
resolution range (Å)	30.0−2.60	30.0−2.45
highest-resolution shella	2.69−2.60	2.50−2.45
no. of measurements	87070 (8060)	65537 (7112)
no. of unique reflections	15716 (1443)	17600 (1776)
redundancy	5.5 (5.5)	3.7 (4.0)
completeness (%)	99.5 (96.8)	97.8 (99.8)
Rmergeb	5.3 (45.5)	8.7 (34.4)
signal to noise ratio (⟨I/σI⟩)	23.10 (4.38)	10.89 (3.93)
solvent content (%)	59.2	59.5
model composition (asymmetric unit)
no. of amino acid residues	341	342
no. of water molecules	100	137
no. of Ca2+ ions	3	3
no. of template nucleotides	16	17
no. of primer nucleotides	14	13
no. of dGTP molecules	1	1
Rfc (%)	20.5	21.7
Rfreed (%)	25.2	27.2
estimated coordinate error (Å)
from Luzatti plot	0.33	0.33
from Luzatti plot (c-ve)	0.43	0.45
from sA plot	0.38	0.39
from sA plot (c-ve)	0.43	0.53
temperature factor
from Wilson plot (Å2)	61.8	47.1
mean isotropic (Å2)	59.2	45.0
root-mean-square deviation in temperature factor
two bonded main chain atoms (Å)	1.25	1.37
two bonded side chain atoms (Å)	1.89	1.99
root-mean-square deviation from ideal values
bond lengths (Å)	0.008	0.007
bond angles (deg)	1.3	1.3
dihedral angles (deg)	21.6	21.8
improper angles (deg)	1.56	1.94

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

^bR_merge = ∑_hkl ∑_j=1,N |⟨I_hkl⟩ − I_hklj|/∑_hkl ∑_j=1,N |I_hklj|, where the outer sum (hkl) is taken over the unique reflections.

^cR_f = ∑_hkl |F_ohkl| − k|F_chkl|/∑_hkl |F_ohkl|, where |F_ohkl| and |F_chkl| are the observed and calculated structure factor amplitudes, respectively.

^dR_freeidem, for the set of reflections (5% of the total) omitted from the refinement process.

^eCross-validation.