5VS3

Human DNA polymerase beta 8-oxoG:dA extension with dTTP after 90 s

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-11-12
Detector	RAYONIX MX300HE
Wavelength(s)	0.97931
Spacegroup name	P 1 21 1
Unit cell lengths	50.400, 79.600, 55.200
Unit cell angles	90.00, 107.10, 90.00

Refinement procedure

Resolution	52.760 - 1.700
R-factor	0.2084
Rwork	0.206
R-free	0.24870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rpx
RMSD bond length	0.007
RMSD bond angle	1.355
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.760	52.760	1.900
High resolution limit [Å]	1.700	12.000	1.700
Rmerge	0.039	0.014	0.359
Rmeas	0.054	0.020	0.498
Total number of observations	165748
Number of reflections	85729	62	24855
<I/σ(I)>	13.07	24.61	2.28
Completeness [%]	94.9	24	96.9
Redundancy	1.933	1.387	1.937
CC(1/2)	0.998	0.997	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	50 mM imidazole pH 7.0-7.5, 350 mM sodium acetate, 16-18% PEG 3350