1QIL

INACTIVE MUTANT TOXIC SHOCK SYNDROME TOXIN-1 AT 2.5 A

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Detector technology	IMAGE PLATE
Collection date	1995-07-24
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	109.030, 177.450, 97.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.500
R-factor	0.191 *
Rwork	0.202
R-free	0.27500
RMSD bond length	0.011
RMSD bond angle	25.960 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.590
High resolution limit [Å]	2.500 *	2.500
Rmerge	0.081	0.251
Total number of observations	179091 *
Number of reflections	30013
Completeness [%]	90.3	92.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	4.6 *	16 *	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	mutant toxin solution	(mg/ml)
2	1	reservoir	PEG4000	(%)
3	1	reservoir		0.65-0.85 (M)
4	1	reservoir		100 (mM)
5	1	reservoir		0.02 (%)