4GXI

R283K DNA polymerase beta binary complex with a templating 8OG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-21
Detector	RIGAKU SATURN 92
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	54.797, 79.258, 54.365
Unit cell angles	90.00, 105.62, 90.00

Refinement procedure

Resolution	22.097 - 1.949
R-factor	0.2083
Rwork	0.203
R-free	0.25890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3isb.pdb
RMSD bond length	0.007
RMSD bond angle	1.123
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	2.650	2.020
High resolution limit [Å]	1.950	2.460	1.950
Rmerge	0.114	0.211	0.500
<I/σ(I)>	11.2	6.31	2.29
Completeness [%]	98.3	100	86.3
Redundancy	4.7	5	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	291	50mM imidazole, 350mM Sodium Acetate, 18% Peg3350, pH 8.0, VAPOR DIFFUSION, temperature 291K