2ICI

Crystal Structure of Streptococcal Pyrogenic Exotoxin I

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F2
Synchrotron site	CHESS
Beamline	F2
Temperature [K]	100
Collection date	2006-05-03
Wavelength(s)	0.97903, 0.97942, 0.96418, 0.97795
Spacegroup name	P 1 21 1
Unit cell lengths	30.864, 80.441, 43.054
Unit cell angles	90.00, 99.51, 90.00

Refinement procedure

Resolution	22.380 - 1.560
R-factor	0.178
Rwork	0.176
R-free	0.22700
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.324
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.620
High resolution limit [Å]	1.560	1.560
Number of reflections	57515
<I/σ(I)>	28.6	7.7
Completeness [%]	98.8	91.3
Redundancy	3.52	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP			VAPOR DIFFUSION, HANGING DROP