1FNU

STRUCTURE OF STREPTOCOCCAL PYROGENIC EXOTOXIN A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	293
Spacegroup name	P 21 21 21
Unit cell lengths	55.300, 126.800, 148.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.940
R-factor	0.223 *
Rwork	0.223
R-free	0.28100
RMSD bond length	0.026 *
RMSD bond angle	2.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS

Data quality characteristics

	Overall
High resolution limit [Å]	1.940
Rmerge	0.062
Number of reflections	74721
<I/σ(I)>	10
Completeness [%]	92.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	18 *	0.25 M LiCl, 5-20 mM CdCL2, 4-20% PEG 8000, 50 mM Na acetate, VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	HEPES	20 (mM)
3	1	reservoir		0.25-1.0 (M)
4	1	reservoir		5-20 (mM)
5	1	reservoir	PEG8000	4-20 (%)
6	1	reservoir	sodium acetate	50 (mM)