9F17

Crystal structure of N term His-tag Adenylosuccinate synthetase from Helicobacter pylori

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	69.150, 122.700, 70.150
Unit cell angles	90.00, 113.36, 90.00

Refinement procedure

Resolution	44.420 - 1.700
R-factor	0.1792
Rwork	0.178
R-free	0.20950
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.19)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.420	44.420	1.690
High resolution limit [Å]	1.600	4.780	1.600
Rmerge	0.518	0.444	1.716
Rmeas	0.563	0.482	2.028
Total number of observations	765952
Number of reflections	143274	7931	3107
<I/σ(I)>	1.92	4.31	0.42
Completeness [%]	69.4	99.9	9.4
Redundancy	5.346	6.484	3.552
CC(1/2)	0.868	0.840	0.337

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	20% PEG3350, 0.2 M ammonium sulphate, 0.1 M Tris