8DWE

Adenine glycosylase MutY variant E43Q in complex with DNA containing d(8-oxo-G) paired with substrate purine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-11
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.11583
Spacegroup name	P 1 21 1
Unit cell lengths	48.630, 137.960, 74.490
Unit cell angles	90.00, 101.00, 90.00

Refinement procedure

Resolution	73.120 - 2.200
R-factor	0.193
Rwork	0.192
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6u7t
RMSD bond length	0.013
RMSD bond angle	1.164
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.120	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.115	1.675
Number of reflections	96293	7112
<I/σ(I)>	5.9	0.88
Completeness [%]	99.7	99.6
Redundancy	3.4	3.4
CC(1/2)	0.993	0.300

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	PEG 4000, calcium acetate, ethylene glycol, Tris.HCl, beta-mercaptoethanol