4UB5

DNA polymerase beta substrate complex with a templating cytosine, incoming 8-oxodGTP, and Mn2+, 5 s

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-28
Detector	RIGAKU SATURN 92
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	55.066, 77.713, 55.112
Unit cell angles	90.00, 114.24, 90.00

Refinement procedure

Resolution	21.087 - 2.150
R-factor	0.2319
Rwork	0.226
R-free	0.28950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.014
RMSD bond angle	0.926
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.069	0.516
Number of reflections	39111
<I/σ(I)>	13.3	2.3
Completeness [%]	99.6	99.5
Redundancy	3.2	2.9

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