1BXT

STREPTOCOCCAL SUPERANTIGEN (SSA) FROM STREPTOCOCCUS PYOGENES

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	1996-03-15
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	81.900, 84.550, 144.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.850
R-factor	0.237
Rwork	0.237
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SEC3
RMSD bond length	0.008
RMSD bond angle	1.676
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.083	0.319 *
Total number of observations	150778 *
Number of reflections	35601
Completeness [%]	83.0	79
Redundancy	4.2	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5	4 *	pH 6.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	sodium cacodylate	100 (mM)
3	1	reservoir	PEG8000	15-23 (%)
4	1	reservoir	magnesium acetate	50-200 (mM)