8UUC

Crystal structure of a bacterial clusterless MutYX bound to an Abasic site analog (THF) opposite 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	2022-09-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	C 2 2 21
Unit cell lengths	38.832, 84.137, 225.742
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.620 - 1.550
R-factor	0.1773
Rwork	0.176
R-free	0.19710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.035
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.063	1.525
Rmeas	0.069	1.643
Rpim	0.026	0.607
Number of reflections	53001	2535
<I/σ(I)>	12.8	1.3
Completeness [%]	97.6	96.7
Redundancy	6.9	7.2
CC(1/2)	0.999	0.739

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	100 mM CAPS/Sodium hydroxide [pH 10.5], 1200 mM Sodium phosphate monobasic/800 mM Potassium phosphate dibasic, and 200 mM Lithium sulfate