2XC9

BINARY COMPLEX OF SULFOLOBUS SOLFATARICUS DPO4 DNA POLYMERASE AND 1, N2-ETHENOGUANINE MODIFIED DNA, MAGNESIUM FORM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	110
Detector technology	CCD
Collection date	2006-03-12
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	93.722, 102.125, 53.004
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.910 - 2.200
R-factor	0.221
Rwork	0.221
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bq3
RMSD bond length	0.007
RMSD bond angle	1.600
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.910	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.060	0.480
Number of reflections	26245
<I/σ(I)>	36.3	6.2
Completeness [%]	99.3	99.3
Redundancy	12.6	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		12-20% POLYETHYLENE GLYCOL 3350, 0.2 M AMMONIUM ACETATE, 0.1 M MAGNESIUM ACETATE, AND 20 MM TRIS (PH 7.5)