5VRW

Human DNA polymerase beta pre-catalytic 8-oxoG:dC extension complex with dTTP bound in non-planar 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	2016-02-16
Detector	RAYONIX MX225HE
Wavelength(s)	0.97931
Spacegroup name	P 1 21 1
Unit cell lengths	50.700, 79.500, 55.300
Unit cell angles	90.00, 107.10, 90.00

Refinement procedure

Resolution	52.850 - 2.580
R-factor	0.2377
Rwork	0.234
R-free	0.30600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rpx
RMSD bond length	0.004
RMSD bond angle	0.893
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]	52.850	52.850	2.600
High resolution limit [Å]	2.580	12.000	2.580
Rmerge	0.066	0.015	0.406
Rmeas	0.091	0.022	0.557
Total number of observations	50422
Number of reflections	25529	211	594
<I/σ(I)>	11.46	35.59	2.02
Completeness [%]	98.0	80.5	100
Redundancy	1.975	1.82	1.965
CC(1/2)	0.994	0.999	0.666

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	50 mM imidizole pH 7-7.5, 350 mM sodium acetate, 16-18 % PEG 3350