6VBA

Structure of human Uracil DNA Glycosylase (UDG) bound to Aurintricarboxylic acid (ATA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-02-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979458
Spacegroup name	P 21 21 2
Unit cell lengths	73.648, 54.775, 59.991
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.450 - 1.800
R-factor	0.182
Rwork	0.179
R-free	0.23360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1akz
RMSD bond length	0.004
RMSD bond angle	0.877
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.450	1.910
High resolution limit [Å]	1.800	1.800
Rmerge	0.125	1.127
Number of reflections	247193	19459
<I/σ(I)>	15
Completeness [%]	94.9
Redundancy	11.2
CC(1/2)	0.998	0.656

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	2mM TRIS pH 8.5, 20 mM Mgcl2, 21% PEG8000, ATA inhibitor was co-crystallized with the UDG protein with a concentration of circa 4mM in solution