2W9A

Ternary complex of Dpo4 bound to N2,N2-dimethyl-deoxyguanosine modified DNA with incoming dGTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID
Synchrotron site	APS
Beamline	21-ID
Temperature [K]	110
Detector technology	CCD
Collection date	2008-06-22
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	94.670, 103.757, 52.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.940 - 2.600
R-factor	0.213
Rwork	0.213
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2jef
RMSD bond length	0.009
RMSD bond angle	1.400
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.940	2.690
High resolution limit [Å]	2.550	2.550
Rmerge	0.060	0.200
Number of reflections	16285
<I/σ(I)>	23.3	5.3
Completeness [%]	98.2	97.4
Redundancy	6.8	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.4		DPO4\: DNA COMPLEX (1\:1.2 MOLAR RATIO, 150 MICROMOLAR), 20 MM TRIS HCL (PH 7.4), 15% POLYETHYLENE GLYCOL 3350 (W/V), 60 MM SODIUM CHLORIDE, 5 MM MAGNESIUM CHLORIDE, 1 MM DGTP.