5KE1

Structure of a C-terminal fragment of the IcsA/VirG passenger-domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-05-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	35.870, 84.670, 114.270
Unit cell angles	90.00, 98.46, 90.00

Refinement procedure

Resolution	42.335 - 1.900
R-factor	0.1679
Rwork	0.166
R-free	0.19500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ml3
RMSD bond length	0.005
RMSD bond angle	0.693
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.335		2.000
High resolution limit [Å]	1.900	10.000	1.900
Rmerge	0.091	0.026	0.817
Number of reflections	52462
<I/σ(I)>	13.11	42	2.5
Completeness [%]	98.4	98.2	97.6
Redundancy	6.8
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	293	0.2 M KCl, 0.1 M TRIS pH 7.2, 26% Jeffamine M-2070