6N2R

Binary complex crystal structure of DNA polymerase Beta with 5-carboxy-dC (5-caC) at the templating position

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2017-09-05
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	55.485, 79.073, 55.064
Unit cell angles	90.00, 109.20, 90.00

Refinement procedure

Resolution	21.839 - 2.100
R-factor	0.2146
Rwork	0.210
R-free	0.26610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3isb
RMSD bond length	0.008
RMSD bond angle	0.989
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.082	0.043	0.248
Rmeas	0.098	0.051	0.312
Rpim	0.054	0.028	0.186
Number of reflections	23774	1325	614
<I/σ(I)>	8.5
Completeness [%]	90.7	97.6	45.9
Redundancy	3	3.2	2.2
CC(1/2)		0.997	0.831

Crystallization Conditions

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