8GTJ

Crystal structure of IpaH7.8-LRR and GSDMB isoform-4 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	93
Detector technology	PIXEL
Collection date	2021-09-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97852
Spacegroup name	P 31 2 1
Unit cell lengths	88.338, 88.338, 335.624
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.150 - 2.700
R-factor	0.2423
Rwork	0.241
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tj2 3cvr
RMSD bond length	0.005
RMSD bond angle	0.739
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.770
High resolution limit [Å]	2.700	2.700
Rmerge	0.097	0.853
Rmeas	0.100	0.875
Number of reflections	42928	3147
<I/σ(I)>	26.13	3.34
Completeness [%]	99.9	100
Redundancy	18.4	19.6
CC(1/2)	0.999	0.894

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	293	1.2 M Sodium potassium phosphate