8GTK

Crystal structure of IpaH7.8-LRR and GSDMB isoform-1 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00000
Spacegroup name	P 32 2 1
Unit cell lengths	102.732, 102.732, 121.316
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.300 - 3.100
R-factor	0.2681
Rwork	0.266
R-free	0.28960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8gtj
RMSD bond length	0.010
RMSD bond angle	1.308
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.300	3.310
High resolution limit [Å]	3.100	3.100
Rmerge	0.063	1.046
Rmeas	0.065
Rpim	0.017	0.384
Number of reflections	13871	2483
<I/σ(I)>	22.9	2.7
Completeness [%]	99.9	100
Redundancy	14.6	15.2
CC(1/2)	0.999	0.934

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.1M Lithium sulfate, 0.1 M Sodium Acetate pH 4.6, 0.6 M Ammonium phosphate monobasic