5VRZ

Human DNA polymerase beta 8-oxoG:dC extension with dTTP after 60 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	50.700, 79.800, 55.300
Unit cell angles	90.00, 107.20, 90.00

Refinement procedure

Resolution	52.830 - 2.050
R-factor	0.1991
Rwork	0.197
R-free	0.24170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rpx
RMSD bond length	0.009
RMSD bond angle	1.428
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]	52.830	52.830	2.100
High resolution limit [Å]	2.050	12.000	2.050
Rmerge	0.042	0.030	0.180
Rmeas	0.058	0.043	0.246
Total number of observations	92541
Number of reflections	48441	116	3316
<I/σ(I)>	11.87	21.9	3.8
Completeness [%]	93.1	44.6	90.8
Redundancy	1.91	1.578	1.681
CC(1/2)	0.997	0.994	0.922

Crystallization Conditions

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