6NKR

Ternary complex crystal structure of K289M variant of DNA polymerase Beta with dGTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-13
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	50.531, 80.125, 55.267
Unit cell angles	90.00, 108.14, 90.00

Refinement procedure

Resolution	31.853 - 2.450
R-factor	0.2155
Rwork	0.207
R-free	0.28970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.009
RMSD bond angle	1.045
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	2.490
High resolution limit [Å]	2.450	6.650	2.450
Rmerge	0.073	0.036	0.728
Total number of observations	55431
Number of reflections	15467	810	750
<I/σ(I)>	11.1
Completeness [%]	99.5	99.3	94.5
Redundancy	3.6	3.6	2.8

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