6NKX

Ternary complex crystal structure of K289M variant of DNA polymerase Beta with "hot-spot sequence" with dGTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-18
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	50.516, 79.884, 55.200
Unit cell angles	90.00, 107.99, 90.00

Refinement procedure

Resolution	26.250 - 1.980
R-factor	0.1842
Rwork	0.181
R-free	0.23200
RMSD bond length	0.008
RMSD bond angle	0.945
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.010
High resolution limit [Å]	1.980	5.370	1.980
Rmerge	0.067	0.041	0.503
Rmeas	0.080	0.050	0.673
Rpim	0.044	0.028	0.441
Total number of observations	84760
Number of reflections	28079	1496	966
<I/σ(I)>	11.5
Completeness [%]	96.4	99.1	65.9
Redundancy	3	3.1	1.6
CC(1/2)		0.997	0.711

Crystallization Conditions

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