6CR9

Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CFCL, 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	2016-03-14
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	50.748, 79.466, 55.651
Unit cell angles	90.00, 107.61, 90.00

Refinement procedure

Resolution	23.892 - 1.960
R-factor	0.1825
Rwork	0.180
R-free	0.22370
RMSD bond length	0.007
RMSD bond angle	0.972
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	1.990
High resolution limit [Å]	1.960	5.320	1.960
Rmerge	0.080	0.059	0.430
Total number of observations	107698
Number of reflections	30271	1555	1423
<I/σ(I)>	8.6
Completeness [%]	99.5	98.7	94.1
Redundancy	3.6	3.6	2.5

Crystallization Conditions

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