6CTP

Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CH2, 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	2015-04-29
Detector	RIGAKU SATURN 92
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	50.276, 78.923, 55.352
Unit cell angles	90.00, 106.98, 90.00

Refinement procedure

Resolution	19.819 - 2.200
R-factor	0.2309
Rwork	0.225
R-free	0.29010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.009
RMSD bond angle	1.031
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	2.280
High resolution limit [Å]	2.200	4.720	2.200
Rmerge	0.120	0.049	0.730
Total number of observations	69895
Number of reflections	21114	2162	2100
<I/σ(I)>	10.1
Completeness [%]	99.3	99.5	99.9
Redundancy	3.3	3.6	3.3

Crystallization Conditions

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