6CTX

Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CBr2, beta, gamma dCTP analogue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2016-06-12
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	50.815, 79.565, 55.502
Unit cell angles	90.00, 107.78, 90.00

Refinement procedure

Resolution	31.785 - 2.020
R-factor	0.1803
Rwork	0.177
R-free	0.22860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.008
RMSD bond angle	0.931
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	2.050
High resolution limit [Å]	2.020	5.480	2.020
Rmerge	0.086	0.053	0.461
Rmeas	0.100	0.062	0.615
Rpim	0.051	0.032	0.403
Total number of observations	92674
Number of reflections	27392	1424	1305
<I/σ(I)>	10.1
Completeness [%]	99.1	98.6	95.6
Redundancy	3.4	3.6	1.9
CC(1/2)		0.995	0.620

Crystallization Conditions

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