6CPQ

Structure of human DNA polymerase beta complexed with 8-ClG in the template base paired with incoming non-hydrolyzable CTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97648
Spacegroup name	P 1 21 1
Unit cell lengths	50.829, 80.243, 55.836
Unit cell angles	90.00, 107.80, 90.00

Refinement procedure

Resolution	19.854 - 1.930
R-factor	0.1935
Rwork	0.191
R-free	0.23880
RMSD bond length	0.005
RMSD bond angle	1.183
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.960
High resolution limit [Å]	1.930	1.930
Number of reflections	32119
<I/σ(I)>	31.2
Completeness [%]	100.0
Redundancy	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	14% to 23% PEG3400, and 350 mM sodium acetate in 50 mM imidazole (pH 7.5)