6CTM

Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CHCL(R-isomer), 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	2016-01-06
Detector	RIGAKU SATURN 92
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	48.404, 76.853, 54.961
Unit cell angles	90.00, 103.76, 90.00

Refinement procedure

Resolution	23.693 - 2.101
R-factor	0.1921
Rwork	0.186
R-free	0.25750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.009
RMSD bond angle	1.015
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	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.090	0.034	0.528
Total number of observations	78329
Number of reflections	22750	2315	2145
<I/σ(I)>	10.2
Completeness [%]	99.4	99	95.5
Redundancy	3.4	3.6	2.6

Crystallization Conditions

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