3SEB

STAPHYLOCOCCAL ENTEROTOXIN B

Experimental procedure

Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	289
Detector technology	IMAGE PLATE
Collection date	1996-06-05
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	45.404, 67.720, 79.065
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.480
R-factor	0.182 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SEB IN COMPLEX WITH AN MHC CLASS-II MOLECULE.
RMSD bond length	0.007
RMSD bond angle	27.420 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXL-97
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.083	0.364
Total number of observations	389081 *
Number of reflections	38513
<I/σ(I)>	12.5	3.6
Completeness [%]	94.6	79.9
Redundancy	10	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.5	16 *	pH 8.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG3350	20 (%(w/v))
2	1	reservoir	sodium azide	0.02 (%(w/v))
3	1	reservoir	Tris-HCl	0.1 (M)