6CTL

Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CHCL-R/S isomers, 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	2014-02-03
Detector	RIGAKU SATURN 92
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	50.862, 79.699, 55.119
Unit cell angles	90.00, 107.66, 90.00

Refinement procedure

Resolution	22.201 - 2.000
R-factor	0.1826
Rwork	0.179
R-free	0.22530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.008
RMSD bond angle	1.062
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.110	0.081	0.360
Total number of observations	90988
Number of reflections	27487	2862	2130
<I/σ(I)>	14.7
Completeness [%]	96.6	98.4	75.7
Redundancy	3.3	3.6	2

Crystallization Conditions

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