9Y1F

S180R human DNA polymerase beta, Binary complex templating dT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9999
Spacegroup name	P 1 21 1
Unit cell lengths	54.171, 79.321, 54.639
Unit cell angles	90.00, 105.12, 90.00

Refinement procedure

Resolution	39.660 - 1.800
R-factor	0.1724
Rwork	0.169
R-free	0.20240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.914
Data reduction software	DIALS (3.8)
Data scaling software	Aimless (0.7.15)
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.660	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.129	1.154
Rmeas	0.142	1.281
Rpim	0.058	0.540
Number of reflections	80367	2461
<I/σ(I)>	8.9	1.8
Completeness [%]	99.9	99.6
Redundancy	6.4	6.6
CC(1/2)	0.989	0.430

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	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