8UK4

Crystal structure of human polymerase eta with incoming dTMPnPP nucleotide opposite urea lesion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2023-02-07
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 61
Unit cell lengths	98.795, 98.795, 80.290
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.780 - 3.020
R-factor	0.1788
Rwork	0.174
R-free	0.26480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.985
Data reduction software	HKL-2000 (v721.2)
Data scaling software	HKL-2000 (v721.2)
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.070
High resolution limit [Å]	3.020	3.020
Rpim	0.040	0.300
Number of reflections	8880	445
<I/σ(I)>	30.48	2.66
Completeness [%]	100.0	100
Redundancy	5.7
CC(1/2)	0.980	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	291	0.1 M MES pH 5.6, 5mM Magnesium chloride, 16% PEG MME 2000