5TSS

TOXIC SHOCK SYNDROME TOXIN-1: ORTHORHOMBIC P222(1) CRYSTAL FORM

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	1992-07
Detector	SIEMENS
Spacegroup name	P 2 2 21
Unit cell lengths	49.100, 75.100, 115.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	5.000 - 2.900
R-factor	0.148
Rwork	0.148
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	25.000 *
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.980
High resolution limit [Å]	2.900	2.900
Rmerge	0.108 *	0.376 *
Number of reflections	185649
<I/σ(I)>	6.6	1
Completeness [%]	98.0	87
Redundancy	18.6	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5	18 *	50 MM TRIS-MALATE BUFFER, PH 5.8-6.6, 24% PEG 4000, 0.5-1 M LICL, pH 6.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	Tris-maleate	50 (mM)
3	1	reservoir	PEG4000	24 (%)
4	1	reservoir		0.5-1 (M)