3WIT

Crystal structure of the C-terminal region of VgrG1 from E. coli O157 EDL933

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-09
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.97890
Spacegroup name	H 3 2
Unit cell lengths	49.417, 49.417, 199.143
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.191 - 1.950
R-factor	0.1978
Rwork	0.196
R-free	0.23300
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.654
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.840	2.050
High resolution limit [Å]	1.950	1.950
Rmerge	0.036	0.347
Number of reflections	7223
<I/σ(I)>	43.1	7.5
Completeness [%]	99.9	99.7
Redundancy	18.3	15.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	35%(v/v) ethanol, 100mM Tris pH8.5, 50mM MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K