8UJT

Crystal structure of human polymerase eta with incoming dAMPnPP 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	2022-06-21
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 61
Unit cell lengths	98.991, 98.991, 81.818
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.350 - 2.310
R-factor	0.1811
Rwork	0.178
R-free	0.24340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.982
Data reduction software	HKL-2000 (2000 v721.2)
Data scaling software	HKL-2000 (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	2.350
High resolution limit [Å]	2.300	2.310
Rmerge	0.240	1.300
Rpim	0.090	0.500
Number of reflections	19840	1028
<I/σ(I)>	29.9	3.42
Completeness [%]	98.6	100
Redundancy	8.1	8.2
CC(1/2)	0.954	0.650

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	0.1M MES pH 6.0, 5mM magnesium chloride, 22% PEG MME 2000