6N2T

Ternary complex crystal structure of DNA polymerase Beta with 5-hydroxymethyl-dC (5-hmC) 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	2018-07-11
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	50.476, 79.089, 55.556
Unit cell angles	90.00, 106.61, 90.00

Refinement procedure

Resolution	28.895 - 2.600
R-factor	0.2076
Rwork	0.198
R-free	0.29050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.010
RMSD bond angle	1.093
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	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.100	0.062	0.698
Rmeas	0.127	0.079	0.882
Rpim	0.077	0.049	0.532
Total number of observations	29393
Number of reflections	12577	651	611
<I/σ(I)>	10.8
Completeness [%]	94.8	93.7	90.8
Redundancy	2.3	2.1	2.3
CC(1/2)		0.985	0.812

Crystallization Conditions

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