8ARC

Heterologous Complex of Aeromonas hydrophila Type III secretion substrate AscX with Photorhabdus luminescens subsp. laumondii LscY

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9187
Spacegroup name	C 1 2 1
Unit cell lengths	90.590, 34.220, 99.600
Unit cell angles	90.00, 101.81, 90.00

Refinement procedure

Resolution	48.750 - 2.100
R-factor	0.2313
Rwork	0.229
R-free	0.28620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7qih
RMSD bond length	0.002
RMSD bond angle	0.437
Data reduction software	XDS (20210205)
Data scaling software	XSCALE (20220220)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.800	2.150
High resolution limit [Å]	2.100	2.100
Rmeas	0.063	1.295
Number of reflections	32409	2393
<I/σ(I)>	8.64	1.23
Completeness [%]	94.8	94.7
Redundancy	1.99	2
CC(1/2)	0.999	0.588

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	reservoir solution: 0.15 M KBr, 24-26%(w/v) PEG2000 monomethyl ester; protein: 5 mg/mL in 20 mM Tris pH 8, 150 mM NaCl, 2 mM TCEP; drop size: 0.66 uL protein + 0.33 uL reservoir