5VRX

Human DNA polymerase beta pre-catalytic 8-oxoG:dC extension complex with dTTP bound in Watson-Crick conformation

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	2016-03-11
Detector	RAYONIX MX300HE
Wavelength(s)	0.97931
Spacegroup name	P 1 21 1
Unit cell lengths	51.000, 80.100, 55.600
Unit cell angles	90.00, 107.20, 90.00

Refinement procedure

Resolution	48.720 - 2.200
R-factor	0.1905
Rwork	0.187
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rpx
RMSD bond length	0.013
RMSD bond angle	1.742
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]	48.720	48.720	2.400
High resolution limit [Å]	2.200	12.000	2.200
Rmerge	0.058	0.014	0.339
Rmeas	0.081	0.020	0.475
Total number of observations	79043
Number of reflections	40358	177	8730
<I/σ(I)>	11.45	33.54	2.49
Completeness [%]	94.4	66.5	89.1
Redundancy	1.959	1.768	1.881
CC(1/2)	0.996	0.999	0.765

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