5D3D

Crystal structure of Staphylococcal Superantigen-Like protein 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	80
Detector technology	PIXEL
Collection date	2013-03-30
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9999
Spacegroup name	P 21 21 21
Unit cell lengths	58.000, 79.220, 96.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.200 - 1.940
R-factor	0.17874
Rwork	0.176
R-free	0.22431
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SSL4
RMSD bond length	0.008
RMSD bond angle	1.206
Data reduction software	MOSFLM (1.0.6)
Data scaling software	Aimless (1.7.6)
Phasing software	PHASER (2.5.2)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.200	1.990
High resolution limit [Å]	1.940	1.940
Rmerge	0.093	0.730
Number of reflections	33556
<I/σ(I)>	11.1	2.7
Completeness [%]	99.8	99.9
Redundancy	6.7	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	298	PEG 3350, potassium thiocyanate