6W4Q

Crystal structure of full-length tailspike protein 2 (TSP2, ORF211) ) from Escherichia coli O157:H7 bacteriophage CAB120

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2015-11-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	82.992, 259.009, 269.696
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.360 - 1.900
R-factor	0.1679
Rwork	0.167
R-free	0.18770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w6p
RMSD bond length	0.011
RMSD bond angle	1.739
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.360	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.131	2.170
Number of reflections	491364	24214
<I/σ(I)>	7.9	0.9
Completeness [%]	99.8	100
Redundancy	5	5
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.8 M ammonium sulfate and 0.1M HEPES (pH 7.0)