6CTI

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-30
Detector	RIGAKU SATURN 92
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	50.618, 79.117, 55.407
Unit cell angles	90.00, 107.00, 90.00

Refinement procedure

Resolution	26.493 - 2.001
R-factor	0.1805
Rwork	0.177
R-free	0.22660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.007
RMSD bond angle	0.885
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	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.064	0.034	0.400
Total number of observations	97108
Number of reflections	26747	1450	897
<I/σ(I)>	12.9
Completeness [%]	94.8	98.4	63.3
Redundancy	3.6	3.7	2.6

Crystallization Conditions

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