4OJO

Crystal Structure of Putative Tailspike Protein (TSP1, orf210) from Escherichia coli O157:H7 Bacteriohage CBA120 in Complex with Lactose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	123.411, 152.881, 171.713
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.000 - 2.000
R-factor	0.177
Rwork	0.177
R-free	0.21400
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	SeMet Tailspike structure
RMSD bond length	0.007
RMSD bond angle	1.411
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.000	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.082	0.404
Number of reflections	211941
<I/σ(I)>	11.3	2.2
Completeness [%]	97.0	93.3
Redundancy	3.5	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.1 M Tris pH 7.0-7.6, 20% PEG-1000. Soaked in mother liquor containing 37% saturated lactose, VAPOR DIFFUSION, HANGING DROP, temperature 298K