8DVP

Glycosylase MutY variant N146S 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	2019-09-06
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.11585
Spacegroup name	P 21 21 21
Unit cell lengths	37.680, 86.170, 140.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.490 - 1.540
R-factor	0.2176
Rwork	0.217
R-free	0.23270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6u7t
RMSD bond length	0.014
RMSD bond angle	1.291
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]	73.490	1.580
High resolution limit [Å]	1.540	1.540
Rmerge	0.075
Number of reflections	130827	9558
<I/σ(I)>	13.15
Completeness [%]	99.8	98.5
Redundancy	12.8
CC(1/2)	0.999	0.146

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	PEG 4000, calcium acetate, ethylene glycol, Tris.HCl, b-mercaptoethanol