9CIH

Crystal structure of human polymerase eta with incoming dCMPnPP nucleotide across O4-methyl threofuranosyl thymidine in DNA template at extension stage

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-03
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.87313
Spacegroup name	P 61
Unit cell lengths	98.470, 98.470, 81.900
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.200 - 2.150
R-factor	0.1734
Rwork	0.170
R-free	0.23240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.937
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	2.210
High resolution limit [Å]	2.150	2.150
Rpim	0.045	0.319
Number of reflections	24623	1809
<I/σ(I)>	11.4	2.3
Completeness [%]	99.9	100
Redundancy	6.3	6.2
CC(1/2)	0.998	0.768

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	295	0.1M MES pH 6.0, 5mM magnesium chloride, 22% PEG MME 2000