1GOZ

Structural basis for the altered T-cell receptor binding specificty in a superantigenic staphylococcus aureus Enterotoxin-B mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.5
Synchrotron site	SRS
Beamline	PX9.5
Temperature [K]	100
Collection date	1999-09-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	39.545, 98.555, 126.469
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.860 - 2.000
R-factor	0.225 *
Rwork	0.227
R-free	0.24900 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3seb
RMSD bond length	0.007
RMSD bond angle	1.170 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.110	0.365
Total number of observations	419612 *
Number of reflections	33201
<I/σ(I)>	7.1
Completeness [%]	92.7	88.3
Redundancy	15

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.6	16 *	PH 4.6 SODIUM CITRATE BUFFER, 0.1M AMMONIUM ACETATE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	30 (%(w/v))
2	1	reservoir	sodium citrate	50 (mM)	pH4.6
3	1	reservoir	ammonium acetate	0.1 (M)