6CTU

Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CFCL, 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	2015-05-07
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	50.810, 79.636, 55.483
Unit cell angles	90.00, 107.78, 90.00

Refinement procedure

Resolution	23.720 - 1.900
R-factor	0.1735
Rwork	0.171
R-free	0.20640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.007
RMSD bond angle	1.022
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	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.057	0.031	0.415
Rmeas	0.067	0.036	0.495
Rpim	0.034	0.019	0.267
Total number of observations	115951
Number of reflections	31150	1687	1056
<I/σ(I)>	9.1
Completeness [%]	93.7	97.8	64.8
Redundancy	3.7	3.7	3
CC(1/2)		0.998	0.852

Crystallization Conditions

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