7S9L

Crystal Structure of DNA Polymerase Beta with Ring open intermediate Fapy-dG base-paired with a dC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-21
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	53.973, 79.218, 54.938
Unit cell angles	90.00, 106.23, 90.00

Refinement procedure

Resolution	25.020 - 2.050
R-factor	0.2026
Rwork	0.196
R-free	0.26270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3isb
RMSD bond length	0.008
RMSD bond angle	0.994
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.17.1_3660)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.020	5.170
High resolution limit [Å]	2.040	2.040
Number of reflections	36189	1730
<I/σ(I)>	20.3
Completeness [%]	96.4
Redundancy	3.2
CC(1/2)	0.997	0.608

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	14-19% PEG 3350, 50 mM Imidazole pH 8.0, 350 mM Sodium Acetate