8YNX

Crystal structure of Cag3-CagT complex from Helicobacter pylori

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2022-03-12
Detector	RAYONIX MX300-HS
Wavelength(s)	0.99984
Spacegroup name	P 41 21 2
Unit cell lengths	112.621, 112.621, 128.204
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.130 - 3.250
R-factor	0.1759
Rwork	0.174
R-free	0.20430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.155
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.130	3.370
High resolution limit [Å]	3.250	3.250
Rmerge	0.132	0.500
Number of reflections	13523	1313
<I/σ(I)>	9.6	2.4
Completeness [%]	99.6	99.6
Redundancy	4	3.6
CC(1/2)	0.974	0.748

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	Morpheus I A10 0.06M divalents mix, 0.1M buffer system 3, 30% v/v precipitant mix 2