7S9M

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-13
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	55.303, 80.841, 56.507
Unit cell angles	90.00, 109.04, 90.00

Refinement procedure

Resolution	24.870 - 2.310
R-factor	0.226
Rwork	0.218
R-free	0.29960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3isb
RMSD bond length	0.015
RMSD bond angle	1.230
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]	25.000	6.270
High resolution limit [Å]	2.310	2.310
Number of reflections	24991	1003
<I/σ(I)>	10.83
Completeness [%]	99.9
Redundancy	4.3
CC(1/2)	0.997	0.388

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