6MR7

DNA polymerase beta substrate complex with templating adenine and incoming Fapy-dGTP analog

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-10
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	55.032, 79.825, 55.518
Unit cell angles	90.00, 110.60, 90.00

Refinement procedure

Resolution	24.711 - 2.144
R-factor	0.1909
Rwork	0.186
R-free	0.25160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3isb
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.190
High resolution limit [Å]	2.150	5.810	2.150
Rmerge	0.075	0.047	0.415
Rmeas	0.091	0.058	0.507
Rpim	0.051	0.033	0.287
Total number of observations	72772
Number of reflections	24393	1270	1181
<I/σ(I)>	9.5
Completeness [%]	99.1	99.4	97.9
Redundancy	3	2.7	2.8
CC(1/2)		0.995	0.808

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	50 mM imidazole pH 7.5, 16% PEG3350, and 350 mM sodium acetate