6CR4

Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with dATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-14
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	50.847, 79.564, 55.647
Unit cell angles	90.00, 107.69, 90.00

Refinement procedure

Resolution	24.615 - 1.800
R-factor	0.1752
Rwork	0.173
R-free	0.21350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.008
RMSD bond angle	0.934
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	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.052	0.034	0.337
Total number of observations	124643
Number of reflections	36632	2008	1006
<I/σ(I)>	16.9
Completeness [%]	93.3	99.1	52.1
Redundancy	3.4	3.7	2

Crystallization Conditions

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