2W8K

Y-family DNA polymerase Dpo4 bypassing N2-naphthyl-guanine adduct in syn orientation

Replaces:  2V4S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	110
Detector technology	CCD
Collection date	2008-06-11
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	95.040, 103.910, 52.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.970 - 3.100
R-factor	0.233
Rwork	0.233
R-free	0.28200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bqr
RMSD bond length	0.009
RMSD bond angle	1.600
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.200
High resolution limit [Å]	3.100	3.100
Rmerge	0.090	0.650
Number of reflections	9733
<I/σ(I)>	15.6	3.2
Completeness [%]	98.4	95.1
Redundancy	6	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8		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, 4% GLYCEROL, 1 MM DGTP.