46MO

Crystal structure of the short-form ATP-phosphoribosyltransferase from Acinetobacter baumannii at 2.3 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	CCD
Collection date	2026-08-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.980
Spacegroup name	P 21 21 21
Unit cell lengths	74.844, 75.213, 96.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.635 - 2.300
Rwork	0.233
R-free	0.27290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.783
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.750	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.081	0.561
Rmeas	0.088	0.602
Rpim	0.033	0.216
Number of reflections	25015	2406
<I/σ(I)>	22.7	4.4
Completeness [%]	100.0	100
Redundancy	13.7	14.8
CC(1/2)	0.998	0.968

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	Sodium acetate trihydrate, Sodium formate