8FAY

Human MUTYH adenine glycosylase bound to DNA containing a transition state analog (1N) paired with d(8-oxo-G)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979180
Spacegroup name	P 21 21 21
Unit cell lengths	87.686, 116.422, 118.378
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.280 - 1.910
R-factor	0.1812
Rwork	0.180
R-free	0.20870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.139
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.300	2.020
High resolution limit [Å]	1.910	1.910
Rmerge	0.085	1.779
Rmeas	0.104	2.213
Number of reflections	177017	27556
<I/σ(I)>	7.53	0.56
Completeness [%]	97.6	94.1
Redundancy	2.7	2.4
CC(1/2)	0.998	0.209

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293.15	0.1 M Bis-Tris [pH 5.5]. 0.2 M Ammonium sulfate, 22% PEG 3350