7MZ2

Structure of human DNA polymerase beta complexed with dzA at N-1 of the template base paired with incoming dTTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-01-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0007
Spacegroup name	P 1 21 1
Unit cell lengths	50.809, 80.181, 55.414
Unit cell angles	90.00, 107.56, 90.00

Refinement procedure

Resolution	19.865 - 2.088
R-factor	0.1989
Rwork	0.197
R-free	0.24280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bpx
RMSD bond length	0.006
RMSD bond angle	1.451
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	10.000	2.130
High resolution limit [Å]	2.088	5.630	2.090
Rmerge	0.116	0.041	0.473
Number of reflections	25175	1291	1276
<I/σ(I)>	7.1
Completeness [%]	99.9	99.9	99.9
Redundancy	5.6	5.6	4.9

Crystallization Conditions

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