8DWF

Glycosylase MutY variant E43S in complex with DNA containing d(8-oxo-G) paired with substrate adenine

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	49.080, 137.900, 74.520
Unit cell angles	90.00, 101.44, 90.00

Refinement procedure

Resolution	73.000 - 2.600
R-factor	0.2081
Rwork	0.207
R-free	0.25330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6u7t
RMSD bond length	0.015
RMSD bond angle	1.260
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]	73.000	2.670
High resolution limit [Å]	2.600	2.600
Rmerge	0.191	2.070
Number of reflections	58172	4259
<I/σ(I)>	5.62	0.79
Completeness [%]	98.7	98.8
Redundancy	2.58	2.57
CC(1/2)	0.981	0.091

Crystallization Conditions

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