3O13

Crystal structure of a superantigen-like protein (SAV0433) from Staphylococcus aureus MU50 at 2.05 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-11
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97941,0.97895
Spacegroup name	I 2 2 2
Unit cell lengths	50.161, 90.804, 109.129
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.448 - 2.050
R-factor	0.1931
Rwork	0.191
R-free	0.23960
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.502
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.448	29.448	2.120
High resolution limit [Å]	2.050	4.400	2.050
Rmerge	0.055	0.021	0.517
Number of reflections	15922	2969	2765
<I/σ(I)>	11.44	33.2	1.9
Completeness [%]	98.0	96.8	94.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	1.000000000M NaCitrate, 0.200000000M NaCl, 0.1M TRIS pH 7.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K