46MN

Crystal structure of short-form ATP-phosphoribosyltransferase from Acinetobacter baumannii at 2.43 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	74.975, 75.017, 96.726
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.681 - 2.430
Rwork	0.247
R-free	0.28080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.448
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.681	2.520
High resolution limit [Å]	2.430	2.430
Rmerge	0.111	0.688
Rmeas	0.129	0.798
Rpim	0.066	0.402
Number of reflections	20950	2138
<I/σ(I)>	11.3	2.5
Completeness [%]	99.1	98.7
Redundancy	7.1	7.4
CC(1/2)	0.996	0.892

Crystallization Conditions

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