7S9P

Ternary complex of DNA Polymerase Beta with Template Fapy-dG and an incoming dCTP 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	2020-05-07
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	50.673, 79.621, 55.347
Unit cell angles	90.00, 108.02, 90.00

Refinement procedure

Resolution	24.500 - 1.860
R-factor	0.1814
Rwork	0.176
R-free	0.22780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.014
RMSD bond angle	1.293
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	5.710
High resolution limit [Å]	1.860	1.860
Number of reflections	50774	1247
<I/σ(I)>	15.4
Completeness [%]	99.4
Redundancy	4.3
CC(1/2)	0.999	0.469

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