4R64

Binary 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	53.525, 79.009, 54.505
Unit cell angles	90.00, 106.12, 90.00

Refinement procedure

Resolution	20.451 - 2.200
R-factor	0.1948
Rwork	0.190
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3isb
RMSD bond length	0.008
RMSD bond angle	1.053
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.058	0.036	0.289
Number of reflections	21541
<I/σ(I)>	16.6
Completeness [%]	95.9	97	93.7
Redundancy	3.7	3.7	3.6

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