6ZXQ

Adenylosuccinate Synthetase from H. pylori in complex with HDA, GDP, IMO, Mg

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-10
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.033195
Spacegroup name	C 1 2 1
Unit cell lengths	120.706, 68.362, 68.828
Unit cell angles	90.00, 121.11, 90.00

Refinement procedure

Resolution	48.460 - 1.400
R-factor	0.1521
Rwork	0.151
R-free	0.19270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3r7t
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (v1.17)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.460	48.460	1.480
High resolution limit [Å]	1.400	4.180	1.400
Rmerge	0.134	0.081	1.394
Rmeas	0.145	0.088	1.513
Total number of observations	616201
Number of reflections	93653	3656	14659
<I/σ(I)>	8.09	22.6	1.2
Completeness [%]	98.5	98.9	96
Redundancy	6.58	6.425	6.526
CC(1/2)	0.994	0.990	0.392

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	Ammonium sulfate, Tris , PEG 3350