6CTV

Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CF2, beta, gamma dCTP analogue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-04
Detector	DECTRIS PILATUS3 X CdTe 1M
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	50.666, 79.251, 55.337
Unit cell angles	90.00, 107.75, 90.00

Refinement procedure

Resolution	23.616 - 2.020
R-factor	0.1829
Rwork	0.180
R-free	0.22020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.007
RMSD bond angle	0.905
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.050
High resolution limit [Å]	2.020	5.480	2.020
Rmerge	0.069	0.045	0.398
Rmeas	0.081	0.054	0.505
Rpim	0.043	0.029	0.306
Total number of observations	91010
Number of reflections	27204	1409	1180
<I/σ(I)>	11.9
Completeness [%]	98.9	98.1	86.2
Redundancy	3.3	3.5	2.1
CC(1/2)		0.996	0.791

Crystallization Conditions

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