3V6K

Replication of N2,3-Ethenoguanine by DNA Polymerases

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	110
Detector technology	CCD
Collection date	2011-11-04
Detector	MARMOSAIC 300
Spacegroup name	P 1 21 1
Unit cell lengths	51.855, 110.953, 100.238
Unit cell angles	90.00, 102.70, 90.00

Refinement procedure

Resolution	48.900 - 3.600
R-factor	0.234
Rwork	0.229
R-free	0.30300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v6j
RMSD bond length	0.011
RMSD bond angle	1.596
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]	50.000	3.630
High resolution limit [Å]	3.500	3.500
Rmerge	0.135	0.665
Number of reflections	12944
<I/σ(I)>	11.7	2.17
Completeness [%]	100.0	100
Redundancy	3.8	3.8

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), VAPOR DIFFUSION, HANGING DROP, temperature 293K