35YG

Crystal structure of Phosphoribosylaminoimidazole carboxylase from Burkholderia xenovorans (Apo)

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	2026-03-26
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	C 1 2 1
Unit cell lengths	171.301, 86.128, 51.930
Unit cell angles	90.00, 97.87, 90.00

Refinement procedure

Resolution	47.280 - 2.390
R-factor	0.2308
Rwork	0.228
R-free	0.27530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.554
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((dev_6065: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.280	2.450
High resolution limit [Å]	2.390	2.390
Rmerge	0.180	1.295
Rmeas	0.195	1.411
Rpim	0.074	0.554
Total number of observations	205151	14105
Number of reflections	29662	2194
<I/σ(I)>	9.1	1.5
Completeness [%]	99.9
Redundancy	6.9	6.4
CC(1/2)	0.995	0.534

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	200 mM Ammonium sulfate, 100 mM HEPES pH 7.5, 32.5% PEG 3350. BuxeA.00036.a.B2.PW39468 at 23.8 mg/mL. plate Liu-S-210 D11, Puck: PSL-0213, Cryo: 200 mM Ammonium sulfate, 100 mM HEPES pH 7.5