6BEL

Ternary complex crystal structure of DNA polymerase Beta with R-isomer of beta-gamma-CHF-dCTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-05
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	50.709, 79.533, 55.458
Unit cell angles	90.00, 107.66, 90.00

Refinement procedure

Resolution	23.696 - 1.898
R-factor	0.1699
Rwork	0.168
R-free	0.20150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.007
RMSD bond angle	0.890
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.696	1.930
High resolution limit [Å]	1.880	1.900
Number of reflections	31705	1132
<I/σ(I)>	14.9
Completeness [%]	95.5	69.2
Redundancy	3.6	2.4

Crystallization Conditions

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