3T5H

Ternary complex of HNE Adduct modified DNA (5'-CXG-3' vs 13-mer) with Dpo4 and incoming dDGT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Detector technology	CCD
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.08
Spacegroup name	P 21 21 2
Unit cell lengths	94.815, 102.861, 53.148
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.270 - 2.350
R-factor	0.217
Rwork	0.217
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.350
Completeness [%]	99.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.4	298	50 mM Tris-HCl (pH 7.4 at 25 C) buffer, 12 20% polyethylene glycol 3350 (w/v), 100 mM Ca(OAc)2, and 2.5% glycerol (v/v). , VAPOR DIFFUSION, temperature 298K