1EU4

CRYSTAL STRUCTURE OF THE SUPERANTIGEN SPE-H (ZINC BOUND) FROM STREPTOCOCCUS PYOGENES

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1999-05-25
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	36.629, 46.028, 64.470
Unit cell angles	90.00, 91.64, 90.00

Refinement procedure

Resolution	19.490 - 2.500
R-factor	0.205
Rwork	0.205
R-free	0.25800
RMSD bond length	0.006
RMSD bond angle	1.220 *
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]	20.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.086	0.351
Total number of observations	37674 *
Number of reflections	7370 *
<I/σ(I)>	12.5
Completeness [%]	97.0 *	90.3
Redundancy	2.4	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8 *	18 *	PEG 6000, potassium succinate, sodium phosphate, zinc acetate, pH 5.1, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	9.6 (mg/ml)
2	1	drop	phosphate	50 (mM)
3	1	reservoir	succinate/KOH	200 (mM)
4	1	reservoir	PEG6000	22 (%)