9PYV

Crystal structure of Uracil-DNA glycosylase from Burkholderia thailandensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-07-26
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	32.629, 63.006, 126.224
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.990 - 1.700
R-factor	0.1648
Rwork	0.163
R-free	0.19650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.987
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (2.0_5778)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.590	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.219	1.491
Rmeas	0.233	1.579
Rpim	0.078	0.517
Total number of observations	253179	13936
Number of reflections	29590	1557
<I/σ(I)>	8.5	1.9
Completeness [%]	100.0
Redundancy	8.6	9
CC(1/2)	0.994	0.599

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291	Grid Salt HT B3: 2.4 M ammonium sulfate, 100 mM MES pH 6.0, ButhA.00103.a.B2.PW39422 at 11.7 mg/mL. Plate 20233 well B3 Drop 3 , Puck: PSL-0813, Cryo: 2.5 M ammonium sulfate.