8G8H

Crystal structure of human DNA polymerase eta incorporating ITP across dC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	120
Detector technology	PIXEL
Collection date	2022-06-02
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97933
Spacegroup name	P 61
Unit cell lengths	99.266, 99.266, 81.761
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.980 - 1.640
R-factor	0.2114
Rwork	0.210
R-free	0.24150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o3n
RMSD bond length	0.008
RMSD bond angle	1.155
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]	85.967	1.673
High resolution limit [Å]	1.640	1.640
Number of reflections	54120	3114
<I/σ(I)>	14.2
Completeness [%]	97.1	100
Redundancy	11.86	11.2
CC(1/2)	1.000	0.504

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