4UB1

DNA polymerase beta product complex with a templating adenine and 8-oxodGMP, 90 s

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-27
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	55.131, 80.800, 55.462
Unit cell angles	90.00, 109.58, 90.00

Refinement procedure

Resolution	31.962 - 2.341
R-factor	0.2278
Rwork	0.222
R-free	0.27720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3isb
RMSD bond length	0.010
RMSD bond angle	1.061
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.390
High resolution limit [Å]	2.341	2.341
Rmerge	0.052	0.334
Number of reflections	34952
<I/σ(I)>	24.3	2.3
Completeness [%]	97.3	77
Redundancy	3.5	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	50 mM imidazole, 350 mM sodium chloride, 17% PEG3350, pH 8.0