23FI

Crystal structure of short-form adenosine triphosphate phosphoribosyltransferase from Acinetobacter baumannii at 1.94 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-30
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.8731
Spacegroup name	P 21 21 21
Unit cell lengths	74.717, 75.234, 96.885
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.510 - 1.942
Rwork	0.186
R-free	0.23680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.471
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]	46.510	2.010
High resolution limit [Å]	1.940	1.940
Rmerge	0.112
Rmeas	0.121	2.950
Rpim	0.046	1.138
Number of reflections	40845	3784
<I/σ(I)>	12.8	0.9
Completeness [%]	99.6
Redundancy	13.4
CC(1/2)	0.999	0.550

Crystallization Conditions

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