7QIH

Complex of the Yersinia enterocolitica Type III secretion proteins YscX and YscY

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-28
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 2
Unit cell lengths	41.553, 140.833, 59.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.620 - 1.920
R-factor	0.2226
Rwork	0.221
R-free	0.26240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold2 model
RMSD bond length	0.002
RMSD bond angle	0.389
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]	45.620	2.030
High resolution limit [Å]	1.920	1.920
Rmeas	0.102	2.941
Number of reflections	27713	4312
<I/σ(I)>	16.4	0.78
Completeness [%]	99.7	98
Redundancy	12.78	11.29
CC(1/2)	1.000	0.446

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	Protein Concentration: 3-5 mg/mL; Protein Buffer: 20 mM Tris pH 8.0, 150 mM NaCl, 5 mM TCEP; Reservoir Solution: 0.1 M BisTris pH 6.0, 0.2 M MgCl2, 13-21 % PEG 3350; Drop Ratio: 0.33 uL Reservoir + 0.66 uL Protein