7S9O

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-12
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	53.727, 78.826, 54.949
Unit cell angles	90.00, 105.89, 90.00

Refinement procedure

Resolution	24.550 - 2.230
R-factor	0.2092
Rwork	0.202
R-free	0.27770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3isb
RMSD bond length	0.012
RMSD bond angle	1.079
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	6.050
High resolution limit [Å]	2.230	2.240
Number of reflections	24619	888
<I/σ(I)>	6.79
Completeness [%]	95.0
Redundancy	3.5
CC(1/2)	0.989	0.436

Crystallization Conditions

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