9Y8H

Crystal structure of Ornithine carbamoyltransferase from Burkholderia xenovorans in complex with phosphono carbamate

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	2025-08-09
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	I 2 3
Unit cell lengths	131.498, 131.498, 131.498
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.490 - 2.670
R-factor	0.1965
Rwork	0.194
R-free	0.25150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.518
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((2.0_5806: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.490	2.740
High resolution limit [Å]	2.670	2.670
Rmerge	0.181	2.190
Rmeas	0.186	2.245
Rpim	0.041	0.493
Total number of observations	217846	16451
Number of reflections	10905	801
<I/σ(I)>	19	1.7
Completeness [%]	100.0
Redundancy	20	20.5
CC(1/2)	0.999	0.664

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	291	Index G6 : 1.4 M Sodium phosphate monobasic / Potassium phosphate dibasic pH 6.9. BuxeA.00088.a.B2.PW39423 at 24.5 mg/mL. plate 20257 B6 drop 3 , Puck: PSL-0315, Cryo: 4.0 M Sodium phosphate monobasic / Potassium phosphate dibasic pH 6.9