6CU9

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

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	50.707, 80.049, 55.602
Unit cell angles	90.00, 107.70, 90.00

Refinement procedure

Resolution	19.820 - 2.040
R-factor	0.1962
Rwork	0.194
R-free	0.24080
RMSD bond length	0.013
RMSD bond angle	1.682
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	2.080
High resolution limit [Å]	2.040	2.040
Number of reflections	27033
<I/σ(I)>	21.5
Completeness [%]	99.8
Redundancy	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	14% to 23% PEG3400, and 350 mM sodium acetate in 50 mM imidazole (pH 7.5)