8FN3

Crystal structure of human DNA polymerase eta incorporating dITP across dC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	120
Detector technology	PIXEL
Collection date	2022-09-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	P 61
Unit cell lengths	98.595, 98.595, 81.376
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.810 - 2.170
R-factor	0.2094
Rwork	0.207
R-free	0.25310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o3n
RMSD bond length	0.009
RMSD bond angle	1.081
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.910	2.210
High resolution limit [Å]	2.170	2.170
Number of reflections	21076	1179
<I/σ(I)>	7.2
Completeness [%]	88.9
Redundancy	10.9
CC(1/2)	0.995	0.382

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM MES, pH 6.5, 20% PEG2000 MME, 5 mM calcium chloride