4R66

Ternary complex crystal structure of E295K mutant of DNA polymerase Beta

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-24
Detector	RIGAKU SATURN 92
Wavelength(s)	1.5408
Spacegroup name	P 1 21 1
Unit cell lengths	54.960, 79.196, 54.874
Unit cell angles	90.00, 92.86, 90.00

Refinement procedure

Resolution	21.653 - 2.250
R-factor	0.1874
Rwork	0.181
R-free	0.24750
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.330
High resolution limit [Å]	2.250	4.850	2.250
Rmerge	0.089	0.066	0.252
Number of reflections	22091
<I/σ(I)>	14.7
Completeness [%]	98.7	98.7	89.9
Redundancy	3.6	3.7	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	291	16-18% PEG3350, 50 mM Imidazole, 350 mM Sodium Acetate, pH 7.5, VAPOR DIFFUSION, temperature 291K