7S9N

Binary complex of DNA Polymerase Beta with Fapy-dG in the template position

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2019-12-12
Detector	RDI CMOS_8M
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	54.061, 78.790, 54.682
Unit cell angles	90.00, 105.66, 90.00

Refinement procedure

Resolution	43.780 - 1.710
R-factor	0.1938
Rwork	0.192
R-free	0.23640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3isb
RMSD bond length	0.012
RMSD bond angle	1.371
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.17.1_3660)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.780	9.050
High resolution limit [Å]	1.710	1.710
Number of reflections	45981	2038
<I/σ(I)>	12.6
Completeness [%]	96.9
Redundancy	3.3
CC(1/2)	0.997	0.300

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	14-19% PEG 3350, 50 mM Imidazole pH 8.0, 350 mM Sodium Acetate