7MZ0

Structure of human DNA polymerase beta complexed with dzA 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	2013-10-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97648
Spacegroup name	P 1 21 1
Unit cell lengths	54.649, 79.172, 54.819
Unit cell angles	90.00, 106.27, 90.00

Refinement procedure

Resolution	19.793 - 2.021
R-factor	0.2239
Rwork	0.221
R-free	0.27570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bpx
RMSD bond length	0.003
RMSD bond angle	1.073
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	20.000	2.050
High resolution limit [Å]	2.020	5.450	2.020
Rmerge	0.079	0.034	0.469
Total number of observations	124548
Number of reflections	29323	1507	1429
<I/σ(I)>	8
Completeness [%]	99.8	99.7	98.1
Redundancy	4.2	4.3	3.6

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)