3V3T

Crystal structure of Clostridium botulinum phage c-st TubZ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2011-09-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9393
Spacegroup name	C 1 2 1
Unit cell lengths	104.990, 85.606, 44.935
Unit cell angles	90.00, 93.87, 90.00

Refinement procedure

Resolution	44.833 - 2.302
R-factor	0.1698
Rwork	0.167
R-free	0.21750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.980
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.286	44.833	2.420
High resolution limit [Å]	2.302	7.270	2.302
Rmerge		0.033	0.417
Total number of observations		4198	9951
Number of reflections	16843
<I/σ(I)>	22.9	15.7	1.9
Completeness [%]	95.5	99.4	73.4
Redundancy	7.2	7.2	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	295	17% PEG 10000, 0.1M ammonium acetate, 0.1M BisTris, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K