8UJV

Crystal structure of human polymerase eta with incoming dCMPnPP 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	2022-10-13
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 61
Unit cell lengths	98.951, 98.951, 81.498
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.480 - 2.230
R-factor	0.1685
Rwork	0.166
R-free	0.22240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.943
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	2.270
High resolution limit [Å]	2.230	2.230
Rmerge	0.070	0.400
Rpim	0.040	0.200
Number of reflections	22232	1086
<I/σ(I)>	23.6	3.24
Completeness [%]	100.0	100
Redundancy	4.1	4
CC(1/2)	0.994	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	0.1 M MES pH 5.5, 5mM magnesium chloride, 18% PEG 2000 MME