6NL0

Ternary complex crystal structure of K289M variant of DNA polymerase Beta with "hot-spot sequence" with beta-gamma CF2 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	2018-06-18
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	50.317, 79.933, 55.119
Unit cell angles	90.00, 107.97, 90.00

Refinement procedure

Resolution	21.234 - 1.970
R-factor	0.196
Rwork	0.193
R-free	0.23740
RMSD bond length	0.008
RMSD bond angle	0.957
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	2.000
High resolution limit [Å]	1.970	5.350	1.970
Rmerge	0.045	0.041	0.442
Rmeas	0.053	0.048	0.551
Rpim	0.027	0.025	0.325
Total number of observations	103402
Number of reflections	28630	1500	1129
<I/σ(I)>	14.9
Completeness [%]	96.5	97.8	76.4
Redundancy	3.6	3.7	2.4
CC(1/2)		0.996	0.797

Crystallization Conditions

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