36ZF

Crystal structure of a Phosphoribosylaminoimidazole carboxylase from Burkholderia xenovorans (Apo, Orthorhombic P form)

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	2026-06-13
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	101.621, 103.556, 151.285
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.990 - 2.050
R-factor	0.1855
Rwork	0.183
R-free	0.22840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.626
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((dev_6111: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.990	2.090
High resolution limit [Å]	2.050	2.050
Rmerge	0.123	1.635
Rmeas	0.128	1.699
Rpim	0.035	0.458
Number of reflections	100704	4956
<I/σ(I)>	13.8	1.7
Completeness [%]	100.0	100
Redundancy	13.5
CC(1/2)	0.999	0.752

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	200 mM NaF, 25% PEG 3350, BuxeA.00036.a.B2.PW39468 at 23.8 mg/mL. plate 20994 B6 drop 3, Puck: PSL-2513, Cryo: 20% ethylene glycol + 80% crystallant