6W2M

Abortive ternary complex crystal structure of DNA polymerase Beta with 8OG-dC base pair at the primer terminus and flipped out dA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	CCD
Collection date	2006-04-06
Detector	RIGAKU SATURN 92
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	50.751, 80.462, 55.612
Unit cell angles	90.00, 107.75, 90.00

Refinement procedure

Resolution	23.927 - 1.998
R-factor	0.1962
Rwork	0.193
R-free	0.23810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rjh
RMSD bond length	0.008
RMSD bond angle	0.936
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	1.998	1.998
Rmerge	0.042	0.341
Number of reflections	28097	2766
<I/σ(I)>	12.9
Completeness [%]	97.3	97
Redundancy	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	16-18% PEG 3350