2W8L

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

Replaces:  2V4T

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	110
Detector technology	CCD
Collection date	2008-07-25
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	95.919, 103.832, 52.493
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.250 - 3.000
R-factor	0.226
Rwork	0.226
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	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.110	3.190
High resolution limit [Å]	3.000	3.000
Rmerge	0.080	0.770
Number of reflections	11751
<I/σ(I)>	23.37	4.7
Completeness [%]	99.6	100
Redundancy	6.6	7.3

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, 4% GLYCEROL, 1 MM DGTP.