6NKW

Ternary complex crystal structure of DNA polymerase Beta with "hot-spot sequence" with beta-gamma-methylene dGTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-18
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	50.441, 79.186, 55.352
Unit cell angles	90.00, 107.60, 90.00

Refinement procedure

Resolution	31.156 - 1.980
R-factor	0.177
Rwork	0.174
R-free	0.21660
RMSD bond length	0.008
RMSD bond angle	0.979
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	0.070	0.047	0.420
Rmeas	0.082	0.055	0.570
Rpim	0.042	0.028	0.383
Total number of observations	85795
Number of reflections	28244	1480	1328
<I/σ(I)>	11.3
Completeness [%]	97.1	98.6	92.9
Redundancy	3	3.4	1.8
CC(1/2)		0.996	0.729

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	16-18% PEG 3350, 50 mM Imidazole, 350 mM Sodium Acetate