8GKR

Crystal structure of human DNA polymerase eta incorporating 5F-dUTP across dA

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]	273
Detector technology	PIXEL
Collection date	2023-02-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	P 61
Unit cell lengths	97.907, 97.907, 81.008
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.950 - 2.784
R-factor	0.2036
Rwork	0.200
R-free	0.28150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o3n
RMSD bond length	0.010
RMSD bond angle	1.140
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.573	2.837
High resolution limit [Å]	2.784	2.784
Number of reflections	10380	609
<I/σ(I)>	7.3	1.31
Completeness [%]	94.0
Redundancy	13.14
CC(1/2)	0.994	0.483

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