9ZOI

Crystal structure of Phosphoribosylaminoimidazole carboxylase from Burkholderia xenovorans (ATP complex)

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	2025-11-10
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	67.007, 170.436, 170.508
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.810 - 1.930
R-factor	0.1704
Rwork	0.169
R-free	0.19560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.033
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((2.0_5765: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.280	1.980
High resolution limit [Å]	1.930	1.930
Rmerge	0.146	1.957
Rmeas	0.151	2.028
Rpim	0.041	0.530
Total number of observations	2005611	152668
Number of reflections	146557	10626
<I/σ(I)>	15	1.7
Completeness [%]	99.5
Redundancy	13.7	14.4
CC(1/2)	0.998	0.759

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	BRK E6: 100 mM sodium citrate, pH 5.5, 200 mM sodium malonate, pH 5.0, 20% PEG 2000 MME. BuxeA.00036.a.B2.PW39468 at 23.8 mg/mL. Cocrystallization with 3mM ATP, plate 20558 E6 drop 1, Puck: PSL-1913, Cryo: 20% PEG 200 + 80% crystallant