7QII

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	I 41 2 2
Unit cell lengths	179.268, 179.268, 41.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.820 - 3.290
R-factor	0.2296
Rwork	0.224
R-free	0.28310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_1292118683
RMSD bond length	0.012
RMSD bond angle	1.766
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]	50.000	3.490
High resolution limit [Å]	3.290	3.290
Rmeas	0.130	1.255
Number of reflections	5368	839
<I/σ(I)>	14.55	2.25
Completeness [%]	99.8	99.3
Redundancy	12.7	13
CC(1/2)	0.999	0.773

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Protein Concentration: 5 mg/mL; Protein Buffer: 10 mM Tris pH 8.0, 50 mM NaCl, 5 % (w/v) sucrose, 2.5 mM TCEP; Reservoir Solution: 0.1 M Sodium succinate pH 6-6.5, 4.2-4.4 M NaCl, 4 % acetonitrile; Drop Ratio: 0.5 - 1 uL Reservoir + 1 uL Protein