6WK6

Crystal structure of human polymerase eta complexed with Xanthine containing DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	120
Detector technology	PIXEL
Collection date	2018-11-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 61
Unit cell lengths	98.930, 98.930, 81.552
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.460 - 2.350
Rwork	0.189
R-free	0.23770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o3n
RMSD bond length	0.008
RMSD bond angle	1.187
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.17)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.400
High resolution limit [Å]	2.350	2.350
Rpim	0.064	0.431
Number of reflections	19116	1039
<I/σ(I)>	10
Completeness [%]	99.9
Redundancy	9.6
CC(1/2)		0.574

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM MES pH 6 5 mM magnesium chloride 18% PEG 2000 MME