7L69

Crystal structure of human polymerase eta complexed with syn N7-benzylguanine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	120
Detector technology	PIXEL
Collection date	2018-11-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 61
Unit cell lengths	98.994, 98.994, 81.886
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.500 - 1.910
R-factor	0.1888
Rwork	0.187
R-free	0.22370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o3n
RMSD bond length	0.007
RMSD bond angle	0.994
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	1.940
High resolution limit [Å]	1.910	1.910
Rmeas	0.151
Rpim	0.045	0.473
Number of reflections	35888	1774
<I/σ(I)>	23.8	1.52
Completeness [%]	99.9	99.9
Redundancy	11
CC(1/2)		0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	100 mM MES pH 6.5 20% PEG2000 MME 5 mM magnesium chloride