8ARB

Heterologous Complex of shortened 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 P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9919
Spacegroup name	C 2 2 21
Unit cell lengths	90.330, 160.560, 156.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.280 - 2.630
R-factor	0.293
Rwork	0.291
R-free	0.32620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7qih
RMSD bond length	0.002
RMSD bond angle	0.358
Data reduction software	XDS (20200131)
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]	80.280	2.700
High resolution limit [Å]	2.630	2.630
Rmeas	0.229	4.831
Number of reflections	34253	2292
<I/σ(I)>	9.3	0.61
Completeness [%]	99.3	92.6
Redundancy	24.86	12.93
CC(1/2)	0.996	0.239

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	reservoir solution: 0.1 M Hepes pH 7.5, 0.6-0.9 M sodium dihydrogen phosphate, 0.6-0.9 M potassium dihydrogen phosphate [1.4-1.8 M total phosphate]; protein: 10 mg/mL in 20 mM Tris pH 8, 150 mM NaCl, 5 mM TCEP; drop size: 0.66 uL protein + 0.33 uL reservoir