5W2A

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

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	63.891, 129.014, 167.346
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.250 - 2.900
R-factor	0.23261
Rwork	0.231
R-free	0.26956
RMSD bond length	0.008
RMSD bond angle	1.388
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]	47.250	3.060
High resolution limit [Å]	2.900	2.900
Rmerge	0.056	0.578
Number of reflections	31180	4504
<I/σ(I)>	14.8	2.5
Completeness [%]	99.2	99.8
Redundancy	4.8	5
CC(1/2)	0.999	0.903

Crystallization Conditions

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