10BM

Crystal structure of Phosphoribosylaminoimidazole carboxylase from Burkholderia xenovorans (AMP, ADP and sulfate 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	2025-12-13
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	66.424, 169.400, 170.618
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.070 - 2.490
R-factor	0.199
Rwork	0.196
R-free	0.24950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.808
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]	50.070	2.550
High resolution limit [Å]	2.490	2.490
Rmerge	0.162	1.855
Rmeas	0.169	1.928
Rpim	0.046	0.521
Total number of observations	912499	67436
Number of reflections	68380	4993
<I/σ(I)>	13.9	1.7
Completeness [%]	100.0
Redundancy	13.3	13.5
CC(1/2)	0.998	0.724

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	Berkeley H5: 100 mM MgCl2, 100 mM Li2SO4, 25% PEG 400. BuxeA.00036.a.B2.PW39468 at 23.8 mg/mL. Cocrystallization with 3mM ATP but hydrolyzed AMP and ADP were observed. plate 20560 A12 drop 1, Puck: PSL-1103, Cryo: 20% PEG 200 + 80% crystallant