6BRX

Crystal Structure of Human DNA polymerase kappa in complex with DNA containing the major cisplatin lesion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-13
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	66.690, 129.060, 168.088
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.470 - 2.800
R-factor	0.21563
Rwork	0.214
R-free	0.26895
RMSD bond length	0.008
RMSD bond angle	1.220
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.470	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.093	0.524
Rpim		0.828
Number of reflections	36493
<I/σ(I)>	9.7
Completeness [%]	99.6
Redundancy	4.4
CC(1/2)	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295.15	15-20% PEG400 and 0.1-0.2 M ammonium iodide (NH4I)