4X9E

DEOXYGUANOSINETRIPHOSPHATE TRIPHOSPHOHYDROLASE from Escherichia coli with two DNA effector molecules

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-09
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	136.800, 159.800, 190.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.632 - 3.100
R-factor	0.1697
Rwork	0.167
R-free	0.22290
RMSD bond length	0.010
RMSD bond angle	1.173
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.210
High resolution limit [Å]	3.100	3.100
Rmerge		0.725
Number of reflections	76093
<I/σ(I)>	15.1	3.3
Completeness [%]	99.9	99.9
Redundancy	6	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	283	Protein solution (10 mg/mL dGTPase, 20 mM Tris-HCl, pH 7.0) mixed 1:1 with well solution (0.1 M sodium acetate, 8% w/v polyethylene glycol 4000, pH 4.6). Cryo conditions are well solution at 25% ethylene glycol.