9CI9

Crystal structure of human polymerase eta with incoming dCMPnPP nucleotide across threofuranosyl thymidine in DNA template at extension stage

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	MAR CCD 300 mm
Wavelength(s)	0.97872
Spacegroup name	P 61
Unit cell lengths	98.902, 98.902, 81.540
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.810 - 2.090
R-factor	0.16
Rwork	0.158
R-free	0.20650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.905
Data reduction software	HKL-2000 (v721.2)
Data scaling software	HKL-2000 (v721.2)
Phasing software	PHASER (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.090	2.090
Rpim	0.049	0.287
Number of reflections	26703	947
<I/σ(I)>	19.3	2.34
Completeness [%]	98.5	70.8
Redundancy	5.1	3.8
CC(1/2)	0.998	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	291	0.1M MES pH 5.6, 5mM magnesium chloride, 20% PEG MME 2000