7MZ3

Structure of human DNA polymerase beta complexed with 3-deaza-3-methyladenine (3dMeA) as the template base in a 1-nucleotide gapped DNA

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	2013-11-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97648
Spacegroup name	P 1 21 1
Unit cell lengths	54.519, 79.031, 54.870
Unit cell angles	90.00, 106.42, 90.00

Refinement procedure

Resolution	19.758 - 2.418
R-factor	0.2071
Rwork	0.204
R-free	0.26620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bpx
RMSD bond length	0.003
RMSD bond angle	0.678
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	2.470
High resolution limit [Å]	2.418	6.520	2.430
Rmerge	0.112	0.044	0.586
Number of reflections	17016	885	833
<I/σ(I)>	6.5
Completeness [%]	99.7	100	97
Redundancy	5.2	5.2	4.7

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)