3B0X

K263A mutant of PolX from Thermus thermophilus HB8 complexed with Ca-dGTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	93
Detector technology	CCD
Collection date	2011-06-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	69.088, 53.202, 84.859
Unit cell angles	90.00, 107.65, 90.00

Refinement procedure

Resolution	50.000 - 1.360
R-factor	0.1724
Rwork	0.171
R-free	0.19790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3au2
RMSD bond length	0.010
RMSD bond angle	1.380
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (refmac_5.5.0110)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.380
High resolution limit [Å]	1.360	1.360
Rmerge	0.044	0.258
Number of reflections	125330
<I/σ(I)>	26.642	4.009
Completeness [%]	99.6	99.6
Redundancy	3.7	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.2M potassium chloride, 0.01M calcium chloride, 0.005M sodium cacodylate (pH 6.0), 10% polyethylene glycol 4000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 293K