2QIL

TOXIC SHOCK SYNDROME TOXIN-1 AT 2.07 A RESOLUTION

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	109.560, 177.600, 98.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.070
R-factor	0.204
Rwork	0.204
RMSD bond length	0.009
RMSD bond angle	26.100 *
Data reduction software	MOSFLM
Data scaling software	Agrovata
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000 *
High resolution limit [Å]	2.070 *
Rmerge	0.086
Total number of observations	257472 *
Number of reflections	52377
Completeness [%]	89.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.6 *		drop solution was mixed with an equal volume of reservoir solution *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	PEG3350	23-25 (%)
3	1	reservoir	ammonium sulfate	0.2 (M)
4	1	reservoir		0.2 (%)
5	1	reservoir	sodium acetate	0.1 (M)