1EU3

CRYSTAL STRUCTURE OF THE SUPERANTIGEN SMEZ-2 (ZINC BOUND) FROM STREPTOCOCCUS PYOGENES

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	1999-02-28
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	148.230, 39.960, 104.070
Unit cell angles	90.00, 134.05, 90.00

Refinement procedure

Resolution	37.050 - 1.680
R-factor	0.207
Rwork	0.207
R-free	0.23000
RMSD bond length	0.005
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.740
High resolution limit [Å]	1.680	1.680
Rmerge	0.039 *	0.232 *
Total number of observations	537930 *
Number of reflections	49704 *
<I/σ(I)>	38.1
Completeness [%]	95.4 *	84.7 *
Redundancy	5.5	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8 *	18 *	PEG 5000 MME, cacodylate, sodium phosphate, Zinc acetate, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	phosphate	50 (mM)
3	1	reservoir	cacodylate/KOH	200 (mM)
4	1	reservoir	PEG5000 MME	16 (%)