4R63

Binary complex crystal structure of R258A 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	2009-10-26
Detector	RIGAKU SATURN 92
Wavelength(s)	1.5408
Spacegroup name	P 1 21 1
Unit cell lengths	54.300, 79.320, 54.780
Unit cell angles	90.00, 105.80, 90.00

Refinement procedure

Resolution	20.609 - 1.850
R-factor	0.185
Rwork	0.180
R-free	0.23230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3isb
RMSD bond length	0.006
RMSD bond angle	1.137
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.920
High resolution limit [Å]	1.850	3.990	1.850
Rmerge	0.099	0.078	0.484
Number of reflections	38158
<I/σ(I)>	13.8
Completeness [%]	99.7	98.9	99
Redundancy	6.1	7.3	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	291	50 mM Imidazole, 350 mM Sodium Acetate, 16-18 % PEG 3350, pH 7.5, VAPOR DIFFUSION, temperature 291K