6NKT

Ternary complex crystal structure of K289M variant of DNA polymerase Beta with beta-gamma difluoro analogue of dGTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-25
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	55.330, 79.669, 54.673
Unit cell angles	90.00, 106.36, 90.00

Refinement procedure

Resolution	31.862 - 2.600
R-factor	0.2093
Rwork	0.199
R-free	0.30270
RMSD bond length	0.011
RMSD bond angle	1.317
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	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.092	0.040	0.792
Total number of observations	52986
Number of reflections	14381	747	704
<I/σ(I)>	8.2
Completeness [%]	99.7	99.1	97.4
Redundancy	3.7	3.6	3.3

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