3V6J

Replication of N2,3-Ethenoguanine by DNA Polymerases

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	110
Detector technology	CCD
Collection date	2011-08-07
Detector	RAYONIX MX-300
Spacegroup name	P 1 21 1
Unit cell lengths	52.700, 111.419, 98.807
Unit cell angles	90.00, 102.57, 90.00

Refinement procedure

Resolution	29.840 - 2.300
R-factor	0.213
Rwork	0.210
R-free	0.27300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v6h
RMSD bond length	0.016
RMSD bond angle	2.142
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.6.0117)
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.380
High resolution limit [Å]	2.297	2.297
Rmerge	0.087	0.534
Number of reflections	48579
<I/σ(I)>	15.3	2.32
Completeness [%]	97.8	85.7
Redundancy	4.6	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.4	293	200 uM Dpo4, 240 uM primer-template DNA complex, 5 mM MgCl2, 1 mM dCTP, 20 mM Tris-HCl (pH 7.4), 60 mM NaCl, 2% glycerol (v/v), and 5 mM -mercaptoethanol. Precipitant: 0.1M Tris-HCl (pH 7.4), 15% polyethylene glycol 3350 (w/v), 0.1 M Ca(CH3COO)2, and 2% glycerol (v/v), temperature 293K