9CHW

Crystal structure of human polymerase eta with incoming dAMPnPP nucleotide opposite threofuranosyl thymidine in DNA template

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	2022-09-23
Detector	MAR CCD 300 mm
Wavelength(s)	0.97872
Spacegroup name	P 61
Unit cell lengths	98.686, 98.686, 82.062
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.900 - 2.160
R-factor	0.1466
Rwork	0.143
R-free	0.20990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.904
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	2.200
High resolution limit [Å]	2.160	2.160
Rpim	0.032	0.068
Number of reflections	23956	1222
<I/σ(I)>	29.2	12.95
Completeness [%]	97.8	100
Redundancy	2.5	2.5
CC(1/2)	0.993	0.985

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	295	0.1M MES pH 5.6, 5mM magnesium chloride, 14% PEG MME 2000