6V5K

Crystal structure of human DNA polymerase eta complexed with N7-nitrogen half-mustard guanine (NHMG) 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	2018-10-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 61
Unit cell lengths	98.911, 98.911, 82.138
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.460 - 2.690
Rwork	0.188
R-free	0.24240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o3n
RMSD bond length	0.010
RMSD bond angle	1.258
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.15rc3_3435)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.730
High resolution limit [Å]	2.690	2.690
Rpim	0.059	0.569
Number of reflections	12870	651
<I/σ(I)>	12.4	0.93
Completeness [%]	99.5
Redundancy	10.3
CC(1/2)		0.469

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG2K-MME, MnCl2, MES, pH 6.0