3I5V

Crystal structure of beta toxin 275-280 from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.90020
Spacegroup name	P 1
Unit cell lengths	55.184, 69.053, 75.654
Unit cell angles	93.06, 94.60, 92.13

Refinement procedure

Resolution	38.400 - 2.800
R-factor	0.2141
Rwork	0.214
R-free	0.26670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Wild-type beta toxin from Staphylococcus aureus
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.400	2.990
High resolution limit [Å]	2.800	2.800
Number of reflections	22252
Completeness [%]	95.0	38.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	0.15-0.25 M NaF, 28-34% PEG 3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K