6NKZ

Ternary complex crystal structure of K289M variant 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	CCD
Collection date	2018-06-19
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	50.642, 80.043, 55.249
Unit cell angles	90.00, 107.92, 90.00

Refinement procedure

Resolution	21.327 - 2.010
R-factor	0.1898
Rwork	0.186
R-free	0.23460
RMSD bond length	0.007
RMSD bond angle	0.906
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	2.040
High resolution limit [Å]	2.010	5.450	2.010
Rmerge	0.071	0.037	0.439
Rmeas	0.083	0.043	0.552
Rpim	0.044	0.023	0.330
Number of reflections	27031	1434	892
<I/σ(I)>	9.6
Completeness [%]	96.5	98.2	63.9
Redundancy	3.4	3.6	2
CC(1/2)		0.998	0.768

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