6CTN

Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CFCL,beta-gamma dTTP analogue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-21
Detector	RIGAKU SATURN 92
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	50.834, 79.342, 55.527
Unit cell angles	90.00, 107.14, 90.00

Refinement procedure

Resolution	18.842 - 1.920
R-factor	0.1897
Rwork	0.187
R-free	0.23470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.007
RMSD bond angle	0.881
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	1.990
High resolution limit [Å]	1.920	4.130	1.920
Rmerge	0.077	0.039	0.501
Total number of observations	108068
Number of reflections	31705	3280	2757
<I/σ(I)>	14
Completeness [%]	98.5	99.5	86.3
Redundancy	3.4	3.6	2.2

Crystallization Conditions

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