6CUA

Structure of human DNA polymerase beta complexed with 8-ClG in the template base paired with incoming non-hydrolyzable GTP 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)	0.9765
Spacegroup name	P 1 21 1
Unit cell lengths	54.713, 79.620, 55.262
Unit cell angles	90.00, 108.78, 90.00

Refinement procedure

Resolution	19.905 - 2.170
R-factor	0.2119
Rwork	0.209
R-free	0.25930
RMSD bond length	0.005
RMSD bond angle	1.216
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	2.210
High resolution limit [Å]	2.170	2.170
Number of reflections	23751
<I/σ(I)>	21.4
Completeness [%]	98.8
Redundancy	5.6

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)