4GXK

R283K DNA polymerase beta ternary complex with a templating 8OG and incoming dATP analog

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-17
Detector	RIGAKU SATURN 92
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	54.861, 78.791, 55.151
Unit cell angles	90.00, 112.65, 90.00

Refinement procedure

Resolution	22.888 - 1.998
R-factor	0.2222
Rwork	0.219
R-free	0.27790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3C2M.pdb
RMSD bond length	0.009
RMSD bond angle	1.192
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	2.710	2.070
High resolution limit [Å]	1.998	2.520	2.000
Rmerge	0.067	0.134	0.411
<I/σ(I)>	22.013	11.73	2.39
Completeness [%]	99.9	100	100
Redundancy	4.8	5.5	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	291	50mM Imidazole, 350mM sodium acetate, 17% Peg3350, pH 7.5, VAPOR DIFFUSION, temperature 291K