6CRC

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-12
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	54.437, 78.939, 54.911
Unit cell angles	90.00, 108.55, 90.00

Refinement procedure

Resolution	19.980 - 2.300
R-factor	0.2144
Rwork	0.206
R-free	0.28500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.009
RMSD bond angle	1.152
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]	20.000	20.000	2.340
High resolution limit [Å]	2.300	6.180	2.300
Rmerge	0.094	0.035	0.471
Total number of observations	69008
Number of reflections	19268	1021	808
<I/σ(I)>	6.8
Completeness [%]	97.9	100	83.2
Redundancy	3.6	3.7	2.8

Crystallization Conditions

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