6W5X

Crystal structure of human polymerase eta complexed with N7-benzylguanine and dCTP*

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	2018-11-28
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1
Spacegroup name	P 61
Unit cell lengths	98.329, 98.329, 81.312
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.160 - 2.590
R-factor	0.1878
Rwork	0.184
R-free	0.25570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o3n
RMSD bond length	0.009
RMSD bond angle	1.149
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (17.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.590	2.590
Rpim	0.055	0.395
Number of reflections	14008	714
<I/σ(I)>	10.2
Completeness [%]	99.9
Redundancy	5.6
CC(1/2)		0.617

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM MES 6.0 5 mM MnCl2 16% PEG 2000 MME