8DVY

DNA glycosylase MutY variant N146S in complex with DNA containing d(8-oxo-G) paired with an enzyme-generated abasic site product (AP) and crystalized with calcium acetate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-14
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.97741
Spacegroup name	P 21 21 21
Unit cell lengths	37.860, 85.480, 140.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.350 - 2.360
R-factor	0.2481
Rwork	0.247
R-free	0.27380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8dvp
RMSD bond length	0.007
RMSD bond angle	0.904
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]	70.350	2.420
High resolution limit [Å]	2.360	2.360
Rmerge	0.237
Number of reflections	36236	2640
<I/σ(I)>	0.0681
Completeness [%]	99.9
Redundancy	6.9
CC(1/2)	0.994	0.135

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.13	PEG 4000, calcium acetate, ethylene glycol, Tris.HCl, b-mercaptoethanol