6PH5

Binary product complex crystal structure of DNA polymerase Beta with an extra-helical template base

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2018-06-21
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	54.132, 79.116, 55.203
Unit cell angles	90.00, 106.61, 90.00

Refinement procedure

Resolution	22.596 - 2.602
R-factor	0.2124
Rwork	0.205
R-free	0.27870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4klm
RMSD bond length	0.012
RMSD bond angle	1.183
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	0.118	0.037	0.823
Rmeas	0.138	0.044	0.991
Rpim	0.072	0.023	0.544
Total number of observations	50488
Number of reflections	13772	701	691
<I/σ(I)>	6.6
Completeness [%]	99.8	97	99.6
Redundancy	3.7	3.6	3.2
CC(1/2)		0.998	0.657

Crystallization Conditions

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