9Y83

Crystal structure of Ornithine carbamoyltransferase from Burkholderia xenovorans

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	P 3 2 1
Unit cell lengths	157.570, 157.570, 138.457
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.600 - 2.550
R-factor	0.192
Rwork	0.190
R-free	0.22650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.527
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]	48.600	2.620
High resolution limit [Å]	2.550	2.550
Rmerge	0.111	2.204
Rmeas	0.114	2.258
Rpim	0.025	0.490
Total number of observations	1319401	100406
Number of reflections	64960	4751
<I/σ(I)>	24.4	1.6
Completeness [%]	100.0
Redundancy	20.3	21.1
CC(1/2)	1.000	0.667

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	Index F12: 100 mM HEPES, pH 7.5, 25% PEG 3350, 200 mM NaCl. BuxeA.00088.a.B2.PW39423 at 24.5 mg/mL. plate 20257 F12 drop 1, Puck: PSL-0410, Cryo: 20% glycerol + 80% crystallant