9ZLO

Crystal structure of Proteus mirabilis UreE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-07-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95365
Spacegroup name	P 21 21 21
Unit cell lengths	38.386, 89.984, 106.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.980 - 2.000
R-factor	0.1881
Rwork	0.186
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.025
Data reduction software	XDS
Data scaling software	Aimless (0.8.2)
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.980	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.107	0.813
Rmeas	0.111	0.840
Rpim	0.031	0.238
Number of reflections	25897	1868
<I/σ(I)>	15.5	3.3
Completeness [%]	100.0	100
Redundancy	13.2	12.6
CC(1/2)	0.999	0.903

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M sodium citrate pH 5, 15% PEG 6000, 5 % glycerol with the addition of microseeds. Microseeds were made from needle-like crystals obtained in 0.16-0.22 M Ammonium citrate dibasic; 16-22 % PEG 3350.