8JUK

Crystal structure of Adenosine triphosphate phosphoribosyltransferase from Acinetobacter baumannii at 2.18 A 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	2023-03-01
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.8731
Spacegroup name	P 21 21 21
Unit cell lengths	71.476, 79.203, 97.777
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.769 - 2.181
Rwork	0.184
R-free	0.24660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.251
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	97.780	2.250
High resolution limit [Å]	2.180	2.180
Number of reflections	29519	2500
<I/σ(I)>	14	1.2
Completeness [%]	99.6	98.8
Redundancy	6.7
CC(1/2)	0.999	0.740

Crystallization Conditions

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