2XCP

TERNARY COMPLEX OF SULFOLOBUS SOLFATARICUS DPO4 DNA POLYMERASE, 7,8- DIHYDRO-8-OXODEOXYGUANINE MODIFIED DNA AND dCTP - MAGNESIUM FORM

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	2007-06-03
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	59.757, 100.429, 105.873
Unit cell angles	90.00, 96.08, 90.00

Refinement procedure

Resolution	49.550 - 2.600
R-factor	0.223
Rwork	0.223
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c2e
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.500	2.760
High resolution limit [Å]	2.600	2.600
Rmerge	0.070	0.490
Number of reflections	37629
<I/σ(I)>	14.8	3.7
Completeness [%]	98.1	90.1
Redundancy	5.2	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		RESERVOIR:12-20% POLYETHYLENE GLYCOL 3350, 0.2 M AMMONIUM ACETATE, 0.1 M MAGNESIUM ACETATE, AND 20 MM TRIS (PH 7.5) DROP: 10MM TRIS-CL PH 7.5, 30 MM NACL, 0.5MM DCTP, 2.5MM MGCL2, 6-10% POLYETHYLENE GLYCOL 3350, 0.1M AMMONIUM ACETATE, 0.05M MAGNESIUM ACETATE