6CTW

Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CCL2, beta, gamma dCTP analogue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2017-05-07
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	50.894, 79.523, 55.495
Unit cell angles	90.00, 107.82, 90.00

Refinement procedure

Resolution	22.287 - 1.981
R-factor	0.1773
Rwork	0.174
R-free	0.21940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.007
RMSD bond angle	0.995
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	2.010
High resolution limit [Å]	1.980	5.370	1.980
Rmerge	0.060	0.035	0.349
Rmeas	0.070	0.041	0.436
Rpim	0.036	0.021	0.258
Total number of observations	103018
Number of reflections	28519	1491	1224
<I/σ(I)>	10.5
Completeness [%]	97.1	98.1	84.5
Redundancy	3.6	3.7	2.4
CC(1/2)		0.998	0.825

Crystallization Conditions

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