9SK0

Urethanase 15 in complex with Ethylene Glycol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-05-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0596
Spacegroup name	P 21 21 2
Unit cell lengths	95.956, 106.154, 86.286
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.450 - 2.050
R-factor	0.1809
Rwork	0.178
R-free	0.23280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.836
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.450	2.090
High resolution limit [Å]	2.050	2.050
Number of reflections	604128	504
<I/σ(I)>	8.27
Completeness [%]	96.3
Redundancy	12.8
CC(1/2)	0.994	0.158

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298.15	0.2 M Ammonium sulfate 0.05 M Magnesium sulfate heptahydrate 0.1 M BICINE 9.0 20 % v/v PEG Smear Medium