5W2C

Structure of human DNA polymerase kappa in complex with Lucidin-derived DNA adduct and incoming dAMPNPP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	63.709, 128.923, 167.705
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.010 - 2.500
R-factor	0.21217
Rwork	0.211
R-free	0.25325
RMSD bond length	0.009
RMSD bond angle	1.394
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.010	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.044	0.477
Number of reflections	48405	7002
<I/σ(I)>	16.3	2.7
Completeness [%]	99.5	99.7
Redundancy	4.4	4.5
CC(1/2)	0.999	0.937

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295.15	25-30% PEG400, 0.2M ammonium nitrate