6NKU

Ternary complex crystal structure of DNA polymerase Beta with "hot-spot sequence" 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	2017-07-17
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	50.630, 79.764, 55.378
Unit cell angles	90.00, 107.69, 90.00

Refinement procedure

Resolution	23.285 - 1.900
R-factor	0.1765
Rwork	0.174
R-free	0.21070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.007
RMSD bond angle	0.894
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	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.046	0.036	0.316
Rmeas	0.055	0.043	0.398
Rpim	0.030	0.024	0.239
Total number of observations	94751
Number of reflections	29961	1637	855
<I/σ(I)>	19.3
Completeness [%]	90.3	95.1	52.3
Redundancy	3.2	3.2	2.3
CC(1/2)		0.997	0.887

Crystallization Conditions

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