9Y1A

WT human DNA polymerase beta, Ternary complex dT:dAmpCpp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER IMUS MICROFOCUS
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-01-27
Detector	Bruker PHOTON II
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	50.616, 79.032, 55.556
Unit cell angles	90.00, 107.39, 90.00

Refinement procedure

Resolution	24.970 - 1.930
R-factor	0.1596
Rwork	0.155
R-free	0.20110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.889
Data reduction software	PROTEUM PLUS (3)
Data scaling software	PROTEUM PLUS (3)
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.970	2.000
High resolution limit [Å]	1.930	1.930
Rmerge	0.074	0.469
Rmeas	0.087	0.579
Rpim	0.044	0.334
Number of reflections	60098	3058
<I/σ(I)>	13.6	2.6
Completeness [%]	99.7	98.42
Redundancy	3.73	2.7
CC(1/2)	0.997	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	13-16% PEG 3350, 150-300 mM sodium acetate, 50 mM HEPES, 1 mM TECP 250uM protein with 300 uM DNA assembly mixed 1:1 with reagent