8DOL

Mechanism of regulation of the Helicobacter pylori Cagbeta ATPase by CagZ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AichiSR BEAMLINE BL2S1
Synchrotron site	AichiSR
Beamline	BL2S1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-06-02
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979183
Spacegroup name	P 1 21 1
Unit cell lengths	112.115, 163.277, 112.220
Unit cell angles	90.00, 93.33, 90.00

Refinement procedure

Resolution	40.790 - 2.800
R-factor	0.198
Rwork	0.197
R-free	0.24690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold AF-O25260-F1
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.850
High resolution limit [Å]	2.800	7.590	2.800
Rmerge	0.073	0.033	0.950
Rmeas	0.079	0.036	1.026
Rpim	0.030	0.015	0.384
Total number of observations	669386
Number of reflections	97939	4980	4866
<I/σ(I)>	7.8
Completeness [%]	100.0	99.3	100
Redundancy	6.8	6.3	7.1
CC(1/2)		0.998	0.752

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		285	35% PEG400, 0.2 M Li2SO4, 0.1 M Tris 8.5