1FNV

STRUCTURE OF STREPTOCOCCAL PYROGENIC EXOTOXIN A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	293
Detector technology	AREA DETECTOR
Detector	SIEMENS HI-STAR
Spacegroup name	P 21 21 2
Unit cell lengths	105.480, 130.710, 84.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.600
R-factor	0.232 *
Rwork	0.233
R-free	0.30370
RMSD bond length	0.009 *
RMSD bond angle	1.500 *
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	X-PLOR
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	3.600
Rmerge	0.123
<I/σ(I)>	4
Completeness [%]	88.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	18 *	0.25-1 M LiCl, 5-20 mM CdCl2, 4-20% PEG8000, 50 mM Na acetate, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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)