38YV

Crystal structure of Phosphoribosylaminoimidazole carboxylase from Burkholderia xenovorans (Guanine 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	2026-07-26
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	67.190, 170.385, 173.212
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.490 - 2.110
R-factor	0.1781
Rwork	0.176
R-free	0.20940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.983
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((2.2_6143: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.790	2.160
High resolution limit [Å]	2.110	2.110
Rmerge	0.157	1.748
Rmeas	0.163	1.819
Rpim	0.044	0.498
Total number of observations	1550954	111685
Number of reflections	115173	8437
<I/σ(I)>	13.1	1.7
Completeness [%]	100.0
Redundancy	13.5	13.2
CC(1/2)	0.998	0.758

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. Soaked with 10mM GMP, but the ribose and phosphate group could not be traced based on electron density maps so only GUN was modeled, plate 21242 A1, Puck: PSL-0401, Cryo: 100 mM sodium citrate tribasic/HCl pH 5.5, 200 mM sodium malonate dibasic pH 5.0, 33% PEG 2000 MME