5N40

Structure of Yersinia pseudotuberculosis adhesin InvE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-26
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.00002
Spacegroup name	P 1 21 1
Unit cell lengths	70.260, 27.030, 88.950
Unit cell angles	90.00, 107.11, 90.00

Refinement procedure

Resolution	46.465 - 1.700
R-factor	0.1612
Rwork	0.159
R-free	0.19480
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.644
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX (dev_2650)
Refinement software	PHENIX (dev_2650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.465	46.465	1.800
High resolution limit [Å]	1.700	10.000	1.700
Rmerge	0.077	0.029	0.587
Rmeas	0.084	0.032	0.635
Total number of observations	235919
Number of reflections	35804	212	5614
<I/σ(I)>	16.31	47.58	3.22
Completeness [%]	99.3	98.1	99.7
Redundancy	6.589	5.854	6.832
CC(1/2)	0.999	1.000	0.901

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.12 M MgCl2, 0.1 M TRIS pH 8.5, and 26% PEG8000