8ARA

Heterologous Complex of Aeromonas hydrophila Type III secretion substrate AscX with Yersinia enterocolitica chaperone YscY

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9919
Spacegroup name	P 21 21 21
Unit cell lengths	44.318, 94.852, 101.369
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.700 - 2.300
R-factor	0.1929
Rwork	0.190
R-free	0.24260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7qih
RMSD bond length	0.003
RMSD bond angle	0.470
Data reduction software	XDS (20200131)
Data scaling software	STARANISO (2.3.92 (17-Feb-2023))
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	94.850	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.165	0.884
Rmeas	0.174	0.938
Rpim	0.056	0.307
Number of reflections	14883	744
<I/σ(I)>	11	3
Completeness [%]	75.8	29
Redundancy	9.4	8.9
CC(1/2)	0.997	0.859

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	reservoir solution: 0.2 M sodium acetate, 0.1 M sodium citrate pH 5.5, 10 %(w/v) PEG4000; protein: 10 mg/mL in 20 mM Tris pH 8.0, 150 mM NaCl, 5 mM TCEP; drop size: 0.66 uL protein + 0.33 uL reservoir