7S9K

Crystal Structure of DNA Polymerase Beta with 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	2020-08-04
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	54.280, 79.125, 54.882
Unit cell angles	90.00, 105.33, 90.00

Refinement procedure

Resolution	24.850 - 1.970
R-factor	0.1755
Rwork	0.172
R-free	0.22410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3isb
RMSD bond length	0.010
RMSD bond angle	1.264
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	5.330
High resolution limit [Å]	1.970	1.970
Number of reflections	40144	1554
<I/σ(I)>	11.14
Completeness [%]	99.7
Redundancy	4.3
CC(1/2)	0.998	0.511

Crystallization Conditions

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