6CR8

Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CHCL (R & S isomers), 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	2015-04-28
Detector	RIGAKU SATURN 92
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	50.585, 78.601, 55.473
Unit cell angles	90.00, 107.14, 90.00

Refinement procedure

Resolution	19.282 - 2.050
R-factor	0.195
Rwork	0.191
R-free	0.24830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.008
RMSD bond angle	0.913
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	2.120
High resolution limit [Å]	2.050	4.400	2.050
Rmerge	0.105	0.076	0.500
Total number of observations	81827
Number of reflections	25685	2668	2152
<I/σ(I)>	10
Completeness [%]	97.3	98.8	81.6
Redundancy	3.2	3.4	2.2

Crystallization Conditions

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