3I41

Crystal structure of beta toxin from Staphylococcus aureus F277A, P278A mutant

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 21 21 21
Unit cell lengths	63.176, 68.668, 127.842
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.180 - 1.750
R-factor	0.204
Rwork	0.201
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Native Beta Toxin
RMSD bond length	0.015
RMSD bond angle	1.563
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall
Low resolution limit [Å]	26.180
High resolution limit [Å]	1.750
Number of reflections	54177
Completeness [%]	93.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	PEG 4000, 0.1 M MES, VAPOR DIFFUSION, SITTING DROP, temperature 291K