7MZ8

Structure of human DNA polymerase beta complexed with 3-deaza-3-methyladenine (3dMeA) 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	2013-12-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0007
Spacegroup name	P 1 21 1
Unit cell lengths	54.498, 78.827, 54.578
Unit cell angles	90.00, 108.07, 90.00

Refinement procedure

Resolution	19.707 - 2.600
R-factor	0.2045
Rwork	0.201
R-free	0.26340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bpx
RMSD bond length	0.005
RMSD bond angle	1.236
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	2.670
High resolution limit [Å]	2.600	7.010	2.620
Rmerge	0.101	0.058	0.642
Number of reflections	13461	700	645
<I/σ(I)>	9.1
Completeness [%]	99.7	99.6	99.7
Redundancy	3.3	3.3	3.4

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)