3R8B

Crystal structure of Staphylococcal Enterotoxin B in complex with an affinity matured mouse TCR VBeta8.2 protein, G5-8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-04
Detector	ADSC QUANTUM 270
Spacegroup name	P 21 21 21
Unit cell lengths	109.954, 160.370, 186.265
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.570 - 2.950
R-factor	0.24705
Rwork	0.246
R-free	0.26547
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 3SEB AND 2ICW
RMSD bond length	0.014
RMSD bond angle	1.259
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	121.531	3.060
High resolution limit [Å]	2.950	2.950
Number of reflections	66122
<I/σ(I)>	16.75	4.5
Completeness [%]	94.7	99
Redundancy	13.9	13.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	Gel-filtered SEB/G5-8 complex at 2.5 mg/ml in 100 mM sodium chloride, 50 mM Tris, pH 7.5. 1:1 protein to reservoir solution containing 6.5% PEG8000, 10 mM zinc sulfate, 100 mM ammonium sulfate, 1% glycerol, 100 mM sodium cacodylate, pH 6.5. Microseeded using crystals grown in same condition without ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 294K