8DW7

DNA glycosylase MutY variant N146S in complex with DNA containing the transition state analog 1N paired with d(8-oxo-G)

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 1 21 1
Unit cell lengths	48.890, 137.210, 74.160
Unit cell angles	90.00, 101.00, 90.00

Refinement procedure

Resolution	72.800 - 1.960
R-factor	0.2038
Rwork	0.203
R-free	0.23430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6u7t
RMSD bond length	0.020
RMSD bond angle	1.463
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]	72.800	2.010
High resolution limit [Å]	1.960	1.960
Rmerge	0.068
Number of reflections	128636	9334
<I/σ(I)>	0.089
Completeness [%]	94.7
Redundancy	3.14
CC(1/2)	0.998	0.102

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