6MR8

D276G 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	2018-08-09
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	55.015, 80.282, 55.564
Unit cell angles	90.00, 110.46, 90.00

Refinement procedure

Resolution	24.795 - 1.897
R-factor	0.1985
Rwork	0.196
R-free	0.23870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3isb
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.930
High resolution limit [Å]	1.897	5.140	1.900
Rmerge	0.076	0.062	0.831
Rmeas	0.085	0.070
Rpim	0.039	0.033	0.605
Number of reflections	65523	1842	1665
<I/σ(I)>	10
Completeness [%]	98.8	99.9	94.6
Redundancy	4.3	4.5	2.5
CC(1/2)		0.991	0.662

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	292	50 mM imidazole, pH 8.0, 18% PEG3350 and 350 mM sodium acetate