5VS4

Human DNA polymerase beta 8-oxoG:dA extension with dTTP after 120 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	50.800, 79.700, 55.300
Unit cell angles	90.00, 107.10, 90.00

Refinement procedure

Resolution	48.550 - 1.870
R-factor	0.2017
Rwork	0.199
R-free	0.25690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rpx
RMSD bond length	0.009
RMSD bond angle	1.401
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]	48.550	48.550	1.900
High resolution limit [Å]	1.870	12.000	1.870
Rmerge	0.038	0.019	0.389
Rmeas	0.052	0.027	0.532
Number of reflections	64194	73	3107
<I/σ(I)>	13.53	22.92	2.09
Completeness [%]	93.5	27.9	95.4
Redundancy	1.917	1.521	1.893
CC(1/2)	0.998	0.998	0.846

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