7S9Q

Ternary complex of DNA Polymerase Beta with Template Fapy-dG and an incoming dATP analog

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-29
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	54.624, 78.583, 54.916
Unit cell angles	90.00, 112.44, 90.00

Refinement procedure

Resolution	24.150 - 1.900
R-factor	0.1968
Rwork	0.193
R-free	0.24740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c2m
RMSD bond length	0.009
RMSD bond angle	0.741
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	5.140
High resolution limit [Å]	1.900	1.900
Number of reflections	33772	1603
<I/σ(I)>	9.41
Completeness [%]	99.0
Redundancy	4
CC(1/2)	0.998	0.420

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