7S9J

Crystal Structure of DNA Polymerase Beta with 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	2020-08-20
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	54.383, 79.494, 54.885
Unit cell angles	90.00, 105.72, 90.00

Refinement procedure

Resolution	24.860 - 1.910
R-factor	0.1911
Rwork	0.188
R-free	0.23790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3isb
RMSD bond length	0.010
RMSD bond angle	1.024
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	5.170
High resolution limit [Å]	1.910	1.910
Rmeas	0.122
Number of reflections	53238	1730
<I/σ(I)>	11
Completeness [%]	99.6
Redundancy	4.4
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