9CJ9

Crystal structure of human polymerase eta with incoming dAMPnPP nucleotide opposite O4-methyl threofuranosyl thymidine in DNA template at insertion stage

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-02
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.96770
Spacegroup name	P 61
Unit cell lengths	98.080, 98.080, 78.660
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.610 - 2.980
R-factor	0.2265
Rwork	0.220
R-free	0.34810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.155
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	3.060
High resolution limit [Å]	2.980	2.980
Rpim	0.059	0.818
Number of reflections	8479	653
<I/σ(I)>	10.9	0.8
Completeness [%]	95.7	100
Redundancy	6.1	6.1
CC(1/2)	0.997	0.393

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	0.1 M MES pH 6.5, 5mM magnesium chloride, 16% PEG 2000 MME