6CTO

Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CF2, 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	2015-03-31
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	50.784, 79.168, 55.494
Unit cell angles	90.00, 107.10, 90.00

Refinement procedure

Resolution	19.792 - 2.040
R-factor	0.1832
Rwork	0.179
R-free	0.23190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.008
RMSD bond angle	0.918
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	2.080
High resolution limit [Å]	2.040	5.500	2.040
Rmerge	0.068	0.036	0.438
Total number of observations	81118
Number of reflections	23574	1387	580
<I/σ(I)>	9.4
Completeness [%]	87.9	99.8	44.7
Redundancy	3.4	3.7	2.4

Crystallization Conditions

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