1M4V

Crystal structure of SET3, a superantigen-like protein from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	110
Detector technology	AREA DETECTOR
Collection date	2001-01-01
Detector	MARRESEARCH
Wavelength(s)	0.8452
Spacegroup name	P 63
Unit cell lengths	65.123, 65.123, 196.731
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 * - 1.900
R-factor	0.205
Rwork	0.205
R-free	0.24000
Structure solution method	MIR
RMSD bond length	0.005
RMSD bond angle	25.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.108	0.458
Number of reflections	35700
<I/σ(I)>	12.1	2.75
Completeness [%]	96.2	95.6
Redundancy	5.3	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6 *	18 *	HEPES, ammonium sulphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	6 *	18 *	HEPES, ammonium sulphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	sodium phosphate	20 (mM)	pH6.0
2	1	drop	SET3	12 (mg/ml)
3	1	reservoir	HEPES	50 (mM)	pH7.0
4	1	reservoir	ammonium sulfate	1.5 (M)	or 50mM HEPES, pH7.0
5	1	reservoir	sodium potassium tartrate	0.9 (M)